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  • Articles  (4,182)
  • Springer  (3,891)
  • Society of Exploration Geophysicists  (291)
  • 1985-1989  (4,182)
  • 1950-1954
  • 1986  (4,182)
  • Geosciences  (3,760)
  • Technology  (469)
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  • Articles  (4,182)
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  • 1985-1989  (4,182)
  • 1950-1954
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  • 1
    Electronic Resource
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    Springer
    Engineering with computers 1 (1986), S. 127-147 
    ISSN: 1435-5663
    Source: Springer Online Journal Archives 1860-2000
    Topics: Computer Science , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Technology
    Notes: Abstract One of the major problems in developing computeraided design software is the establishment of effective man-machine communication. This paper describes a computer-aided plate girder design software package and its man-machine interface using natural language processing techniques. The natural language interpreter takes advantage of the user's communication and technical skills and accepts commands in the user's native language. The user can verify the correct interpretation of the commands from the responsive graphic display of the design.
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  • 2
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    Engineering with computers 1 (1986), S. 175-191 
    ISSN: 1435-5663
    Source: Springer Online Journal Archives 1860-2000
    Topics: Computer Science , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Technology
    Notes: Abstract With the aid of the supercomputer we have performed three-dimensional simulations in practical cpu time. At the same time, though, huge amounts of output data must be treated automatically by post processors, so that only necessary information will be extracted and changes of models, mesh subdivisions, or boundary conditions will be taken into account. This type of information processing cannot be attained by conventional postprocessors, and a new concept of postprocessing and system must be developed in the sense of computer-aided engineering or computer diagnosis. We present a computer tomographic system COMTOS-BEM based on three-dimensional boundary element analysis; it houses its own geometric modeling and automatic mesh generation. Furthermore, it supports design feedback reactions to change modeling or meshing, make recalculations, and renew boundary conditions. In this paper, we state the basic concept of the proposed computer diagnosis system and present the necessary geometric modeling and processing and boundary element formulations. Some numerical examples illustrate the validity and effectiveness of our system in practice.
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  • 3
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    Engineering with computers 1 (1986), S. 205-215 
    ISSN: 1435-5663
    Source: Springer Online Journal Archives 1860-2000
    Topics: Computer Science , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Technology
    Notes: Abstract A computerized procedure for symbolic manipulations and FORTRAN code generation of elasto-plastic material matrix for finite element applications is presented. Special emphasis is placed on expression simplifications during intermediate derivations, optimal code generation, and interface with the main program. A systematic procedure is outlined to avoid redundant algebraic manipulations. Symbolic expressions of the derived material stiffness matrix are automatically converted to RATFOR code which is then translated into FORTRAN statements through a preprocessor. To minimize the interface problem with the main program, a template file is prepared so that the translated FORTRAN statements can be merged into the file to form a subroutine (or a submodule). Three constitutive models; namely, von Mises plasticity, the Drucker-Prager model, and a concrete plasticity model, are used as illustrative examples.
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  • 4
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    Lasers in medical science 1 (1986), S. 3-3 
    ISSN: 1435-604X
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    Topics: Medicine , Physics , Technology
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  • 5
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    Lasers in medical science 1 (1986), S. 19-24 
    ISSN: 1435-604X
    Keywords: Neodymium-YAG laser ; Optical microsurgery ; Optical breakdown ; Resonators
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine , Physics , Technology
    Notes: Abstract We report the development of an efficient and compact neodymium-doped yttrium aluminium garnet (Nd-YAG) laser for eye microsurgery. High efficiency and excellent multimode beam quality were obtained by use of a reflecting close-coupled cavity. Stable and unstable resonator configurations were compared. Some experiments performed with this laser are presented and discussed.
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  • 6
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    Lasers in medical science 1 (1986), S. 5-12 
    ISSN: 1435-604X
    Keywords: Photosensitization ; Porphyrins ; Cancer therapy ; Membrane damage
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine , Physics , Technology
    Notes: Abstract When mammalian cells are exposed to light in the presence of photosensitizers, such as porphyrins, a number of reactions takes place. The most important photoproduct is singlet oxygen, which reacts with and degrades a variety of biomolecules. This species can travel only about 0.1μm in a cell during its lifetime. Therefore, the structures most exposed to photodamage are those containing high concentrations of sensitizer. For porphyrins, membranes and mitochondria are such structures. Photosensitized damage to mitochondria and membranes has been observed by several techniques. The incubation time with sensitizers is critical since the rates of accumulation of sensitizer are different at different cellular locations. Several other aspects of the action of photosensitizers are reviewed: Have sublethal doses any effect on proliferation and DNA? How can photodynamic treatment act selectively on tumour tissue? Should photodynamic cancer treatment be combined with other therapies? Does photodynamic therapy work under low oxygen concentrations?
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  • 7
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    Lasers in medical science 1 (1986), S. 25-31 
    ISSN: 1435-604X
    Keywords: Laser laparoscopy ; CO2 laser ; Endometriosis ; Adhesions ; Infertility
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine , Physics , Technology
    Notes: Abstract Adhesions and endometriosis are commonly encountered among patients presenting with pelvic or lower abdominal pain and also in a significant proportion of infertile patients. Laparoscopic investigation is usual in patients with these problems, and it has been possible to perform endoscopic surgery with special scissors and electrodiathermy. These methods can cause troublesome bleeding, and the diathermy produces high temperatures which can be hazardous if used in the vicinity of the bowel. The carbon dioxide laser can be used endoscopically to vaporize deposits of endometriosis and adhesions with great precision and virtually no bleeding. One hundred consecutive patients with endometriosis or adhesions were treated with the CO2 laser laparoscope and followed up for at least a year. Seventy-five per cent of patients with pain due to endometriosis were cured, and 68% of patients were better after laser laparoscopic adhesiolysis. Pregnancy rate in the previously infertile group with endometriosis was 64%. There were no complications due to the intra-abdominal use of CO2 laser energy under endoscopic control, although there is a need for a controlled trial. It appears that in the hands of an experienced laparoscopist this technique is safe and effective.
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  • 8
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    Lasers in medical science 1 (1986), S. 33-39 
    ISSN: 1435-604X
    Keywords: Haematoporphyrin derivative ; 580 nm emission ; Time-resolved fluorescence microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine , Physics , Technology
    Notes: Abstract Continuous wave and time-resolved fluorescence microscopy have been extensively used to characterize the behaviour of haematoporphyrin derivative (HPD) both in solution and in single cells. In this work, we report experimental evidence for the presence of a 580 nm-emitting species, occurring as a consequence of modifications in HPD induced by the cellular microenvironment. The fact that the formation of this ‘modified’ species seems to be favoured in tumour cells might increase sensitivity in the diagnostic use of HPD for the localization of early-stage tumours.
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  • 9
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    Lasers in medical science 1 (1986), S. 81-84 
    ISSN: 1435-604X
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  • 10
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    Lasers in medical science 1 (1986), S. 85-86 
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  • 11
    ISSN: 1435-604X
    Keywords: Argon dye laser ; Photodynamic therapy ; Gastric cancer ; Adenocarcinomas
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine , Physics , Technology
    Notes: Abstract Twenty-eight patients with gastric cancer were treated by photodynamic therapy. Haematoporphyrin derivative was used as a photosensitizer and an argon dye laser as a light source. Histologically, all tumours were adenocarcinomas. On the basis of endoscopy, 17 cases were categorized as early-stage cancer and were classified as type IIc (10 lesions), Ha (three lesions), combined type IIc and type III (three lesions) and type I (two lesions). In 11 patients with advanced-stage cancer, endoscopy showed one case of Borrmann I, three of Borrmann II, six of Borrmann III and a single case of Borrmann IV. In the 17 patients with early-stage cancers (18 lesions), complete remission was obtained in 10 patients (11 lesions). Of 13 resected cancers complete remission was confirmed in six lesions on the basis of detailed histological examination of resected specimens. In the advanced stage tumours all 11 patients showed incomplete remissions. It is considered that an incomplete response in the early-stage cancers is due to insufficient light dosage because of the wide area of tumour, because the site of the lesion is anatomically difficult to photoradiate and because the invasion extends to the muscular layer and serosa.
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  • 12
    ISSN: 1435-604X
    Keywords: Laser angioplasty ; Excimer laser ; Photoablation ; Haemolysis
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine , Physics , Technology
    Notes: Abstract The effects of three ultraviolet excimer laser wavelengths on normal and atheromatous human cadaver aortic wall are presented. Ultraviolet radiation successfully ablates vessel wall; the dose response is greatest at 249 nm followed by 193 nm and 351 nm, where the effect is negligible for the equivalent energy dose. Wavelengths 249 and 193 nm have a selective effect on fibrous atheroma; ablation proceeds at a higher rate in this tissue. Non-linear effects observed at 249 nm may be due to thermal as well as photoablative mechanisms. In addition, blood samples were exposed to all three wavelengths and potassium concentrations were measured; the dose of energy required to produce tissue ablation may also produce significant haemolysis and hyperkalaemia at 249 and 193 nm but not with 351 nm. This finding may be important for coronary angioplasty but less so for peripheral work. The wavelength that produces the strongest dose response is 249 nm; this is the wavelength for which a fibre-optic delivery system should be developed.
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  • 13
    ISSN: 1435-604X
    Keywords: Argon laser ; Superficial venular dilatation lower limb ; Arborizing telangiectasia
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine , Physics , Technology
    Notes: Abstract The response of vascular dilatation of the lower limb to treatment with the argon laser was found to correlate with clinical diagnosis. Nine patients with superficial venular dilatation of the lower limb associated with varicose veins were treated with the argon laser and the results were uniformly poor. However, two patients with the clinically distinct condition of arborizing telangiectasia (or essential progressive telangiectasia) of the legs responded well to treatment. No other satisfactory treatment is available for this cosmetically distressing condition, so that argon laser therapy appears to be the treatment of choice.
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  • 14
    ISSN: 1435-604X
    Keywords: Neodymium-YAG laser ; Meningioma ; Microsurgery ; Micromanipulator
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine , Physics , Technology
    Notes: Abstract The coagulation and tumour-shrinking properties of the Nd-YAG laser make it a useful tool in the treatment of vascular intracranial tumours, in particular meningiomas. The resection of many tumours such as base-of-skull meningiomas inevitably involves limited access, making precision work with the hand-held laser difficult. This paper presents the use of a special micromanipulator which allows coupling of the OPMILas YAG laser to the Zeiss OPMI operating microscope. The laser can be used in focused or defocused mode, with better precision than that obtained in the hand-held position. A built-in filter makes the instrument safe for the surgeon to use without goggles.
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  • 15
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    Lasers in medical science 1 (1986), S. 221-224 
    ISSN: 1435-604X
    Keywords: Lasers ; Exposure time ; Calibration ; Safety
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine , Physics , Technology
    Notes: Abstract A hand-held unit has been constructed for routine measurement of exposure times of argon and krypton lasers. A small photodiode is used as the sensing element, and the measured exposure time in ms is observed on a liquid-crystal display. A series of measurements was made on a set of four lasers in use in ophthalmology departments in North Wales. Typically, the measured exposure times were observed to agree well with set values. Percentage errors were, however, often considerable at the shortest exposure settings. A small variation in values of exposure timings for a selected exposure time was found as a function of selected aiming-beam position. This presumably arises out of the design of the particular aiming-beam/shutter assembly. Although no serious shutter malfunction was detected, the ability to measure exposure times accurately was considered relevant to checking the delivered output of laser systems.
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  • 16
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    Lasers in medical science 1 (1986), S. 225-228 
    ISSN: 1435-604X
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  • 17
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    Lasers in medical science 1 (1986), S. 229-230 
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  • 18
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    Lasers in medical science 1 (1986), S. 231-231 
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  • 19
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    Lasers in medical science 1 (1986), S. 232-232 
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  • 20
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    Lasers in medical science 1 (1986), S. 139-142 
    ISSN: 1435-604X
    Keywords: Capsulotomy ; Iridotomy ; Photodisruption ; Eye anterior segment ; Neodymium-YAG laser
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine , Physics , Technology
    Notes: Abstract Since the introduction of microsurgery by the neodymium-doped yttrium aluminium garnet (Nd-YAG) laser many conventional surgical procedures for the anterior segment of the eye have been superseded. We discuss the current indications, contraindications, techniques and complications encountered in pulsed Nd-YAG laser surgery of the anterior segment.
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  • 21
    ISSN: 1435-604X
    Keywords: Oesophageal cancer ; Gastric cancer ; Neodymium-YAG laser
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine , Physics , Technology
    Notes: Abstract For palliative treatment of tumours with the Nd-YAG laser, the non-contact method of applying laser energy has become established as a useful technique. However, it has certain disadvantages which include overdistension of the intestine, difficulty in calculating the amount of energy applied in each place, and the danger of destruction of the tip of the light guide if this makes contact with the tissue while the laser is being fired. The newly developed contact method of energy application by means of ceramic tips is free from such disadvantages. We report our results with the contact and the non-contact method in the treatment of stenosing inoperable tumours of the oesophagus and stomach. By the end of 1985 we had treated 76 patients with the non-contact method and 16 with the contact method. The relative advantages of the two methods in clinical use are discussed.
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  • 22
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    Lasers in medical science 1 (1986), S. 158-159 
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  • 23
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    Lasers in medical science 1 (1986), S. 147-151 
    ISSN: 1435-604X
    Keywords: Neodymium-YAG laser ; Splenic resection ; Cellular biostimulation ; Mast cells ; Splenic regeneration ; Pigs
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine , Physics , Technology
    Description / Table of Contents: Résumé Splénectomie partielle au laser YAG-Nd. Une série de 11 porcs (18–35 kg) subissent une splénectomie partielle à l'aide d'un laser YAG-Nd (80 W de puissance, 8° de divergence), après ligature de l'artère gastro-épiploique. On obtient une coupe et une hémostase simultanée rapide. La zone d'ischémie est limitée à 1 ou 2 mm d'épaisseur et se trouve rapidement remplacée par du tissue fibreux au 10e jour post-opératoire (J10). Aucune hémorragie secondaire n'est à déplorer. L'examen en microscopie semi-fine et électronique montre: à J 3 une activité macrophagique et polynucléaire intense dans la pulpe rouge à proximité de la coupe; à J 10 de nombreuses mitoses des cellules lymphoides de la pulpe blanche; à J 30 une forte densité de plasmocytes et de mastocytes répartis dans les centres germinaux situés à proximité de la fibrose de bordure. Les contrôles à J 180 et J 365 montrent une guérison totale du foyer de résection et une taille normale de la rate.
    Notes: Abstract Eleven pigs (18–35 kg) were submitted to partial splenic resection with an 8° divergent Nd-YAG laser beam (80 W). The gastroepiploic artery was ligated in 10 pigs. The laser provided both rapid cutting and haemostasis, and the ischaemic layer was limited to 1 or 2 mm in thickness. This was replaced by fibrous tissue by the tenth postoperative day and delayed bleeding was not observed. Semi-thin and electron microscopic examinations of the spleen on the third postoperative day showed intensive macrophage and polynuclear infiltration into the red pulp in the vicinity of the resection. At ten days mitotic figures of lymphoid cells and a few mast cells were present in the white pulp. By day 30 a large concentration of plasmocytes and mast cells were scattered in germinal centres underlying the new fibrotic capsule. Healing, with restoration of the size of the spleen, was found at six months and at twelve months postoperatively.
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  • 24
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    Lasers in medical science 1 (1986), S. 107-109 
    ISSN: 1435-604X
    Keywords: Microscopy ; Port-wine stains ; Argon laser
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine , Physics , Technology
    Notes: Abstract The structures present in port-wine stains of patients presenting for argon laser therapy were examined by means of a simple transcutaneous microscope. This method is non-invasive and allows the investigator to make a thorough examination of the naevus. The port-wine stain was found to contain a variety of aberrant capillary and vascular structures. Abnormalities of the capillaries of the dermal papillae result in a variety of structures ranging from simple increase in the size of the capillaries to elongation of the vessels and breakdown of the tone of the vessel walls to give structures which resemble cavernous haemangiomata. Abnormalities of the vessels deeper down in the subdermal vascular plexus may also be seen. Occasionally, tufts of several capillaries may originate from a small feeder vessel. The capillaries in some lesions may be abnormally elongated, complex, helically twisted and very thin. Naevi on the face appear different from those on the limbs although this has not yet been verified by extensive observation.
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  • 25
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    Lasers in medical science 1 (1986), S. 117-120 
    ISSN: 1435-604X
    Keywords: Gold-vapour laser ; Argon-pumped dye laser ; Photodynamic therapy ; Cancer
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine , Physics , Technology
    Notes: Abstract This paper compares the relative merits of the continuous wave argon-pumped dye laser and the pulsed gold-vapour laser as used clinically for photodynamic therapy. At comparable power and energy outputs, the biological effect of the two appears to be the same. However, for 1 W output (a suitable level for clinical use), the gold laser is simpler and easier to install and run, although it requires a larger diameter fibre for light delivery (0.6 mm v. 0.2 mm). The wavelength of the dye laser is tunable, whereas that of the gold is not, although the gold laser can be easily converted to a copper-vapour laser which can pump a tunable dye laser.
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    Lasers in medical science 1 (1986), S. 135-137 
    ISSN: 1435-604X
    Keywords: Carbon dioxide laser ; Electrocautery ; Diathermy ; Thoracotomy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine , Physics , Technology
    Notes: Abstract It has been claimed that surgical incisions made with the carbon dioxide laser are superior to those made by diathermy in terms of blood loss, wound healing and postoperative pain. We have done a small controlled trial to test this hypothesis in 16 patients, comparing thoracotomy incisions made by these two techniques. Incisions made by the laser were slower and had greater blood loss and we were unable to demonstrate any differences between the techniques in wound healing or postoperative pain.
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    Lasers in medical science 1 (1986), S. 153-156 
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    Lasers in medical science 1 (1986), S. 160-160 
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  • 29
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    Lasers in medical science 1 (1986), S. 75-80 
    ISSN: 1435-604X
    Keywords: Neodymium-YAG laser ; colorectal cancer ; Photocoagulation ; Obstruction ; Bleeding ; Adenocarcinomas
    Source: Springer Online Journal Archives 1860-2000
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    Notes: Abstract The merits of the Nd-YAG laser were evaluated in palliation of obstruction, or bleeding, or both, in 84 patients with colorectal malignancy. Luminal patency was restored in 20 of the 24 patients with obstructing colonic cancers. Haemostasis was achieved in 37 of the 40 patients with bleeding. Combined bleeding and obstruction responded favourably in 19 of the 20 patients treated. Only a few laser photocoagulation sessions, over a short period of time, were needed, and further laser treatment could be continued on an outpatient basis. Major complications such as perforation (6), stenosis necessitating a colostomy (3), and delayed post-treatment bleeding (2) were seen in 13% of patients, with a laser-related mortality in three patients. Minor complications, such as transient stenosis (22) and laser-induced bleeding (11), responded well to further laser application. Pain and warmth (20) resolved spontaneously. Treatment failures and complications were mainly due to inadequate accessibility or were related to tissue characteristics. Laser photocoagulation appears to constitute a valuable alternative treatment, not only to resection and colostomy, in the case of obstruction, but also for haemorrhage that cannot be controlled in other ways. Palliation, in its broad sense, is guaranteed because of the rapid results, reduced time in hospital, the avoidance of hospital admission, and the good tolerance of treatment.
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    Lasers in medical science 1 (1986), S. 86-87 
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  • 31
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    Lasers in medical science 1 (1986), S. 88-88 
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  • 32
    ISSN: 1435-604X
    Keywords: Liver resection ; Carbon dioxide laser ; Neodymium-YAG laser
    Source: Springer Online Journal Archives 1860-2000
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    Notes: Abstract A series of 15 patients have undergone liver resection by laser, 10 by use of the carbon dioxide laser alone, one with the neodymium-doped yttrium aluminium garnet laser (Nd-YAG) alone, and four with combined use. Partial and anatomical liver resections have been done without mortality or haemorrhagic complications, although initial haemostasis was always difficult with the CO2 laser alone. Bile leakage occurred in four patients, but it stopped spontaneously in three. Histology showed a necrotic zone less than 2 mm deep when the CO2 laser was used alone, but the zone was 5–6 mm deep with the Nd-YAG laser and 1.6–1.8 mm deep when the two were used in combination. Thus, the most effective cutting, with good haemostasis and minimum damage to the underlying liver, was achieved with the combined lasers. A precise superposition of the two spots was achieved with a new handpiece prototype.
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  • 33
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    Lasers in medical science 1 (1986), S. 111-115 
    ISSN: 1435-604X
    Keywords: Argon laser ; Arterial microanastomosis ; Scanning electron microscopy ; Vessel re-endothelialization ; Collagenous fusion ; Vessel repair
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine , Physics , Technology
    Description / Table of Contents: Résumé Anastomoses micro-artérielles au laser argon: étude en microscopie électronique à balayage. Les auteurs réalisent au laser Argon (Coherent 900) une anastomose carotidienne terminoterminale sur une série de 50 rats Wistar de poids moyen de 260 g. Les impacts laser (en moyenne 19) sont de 300 mW de puissance et d'une durée de 5 s chacun, avec un point de focalisation de 150 μm de diamètre. On réalise sur 13 spécimens un examen en microscopie électronique à balayage. L'impact laser induit sur la paroi artérielle une lésion de 100 μm de large avec une légère nécrose de coagulation de la media et de l'adventice. La ligne de suture est re-endothélialisée dès le quatrième jour, alors qu'une fusion du collagène est observée dans les couches sousendothéliales. L'arrangement longitudinal des cellules endothéliales est retrouvé dés le dixième jour. A long terme, un réseau collagénique serré assure la résistance de la media et un endothélium normal recouvre la ligne de ‘soudure’. Les complications tel que lâchage ou anéurysmes doivent être attribuées aux inconvénients techniques du début de l'expérimentation.
    Notes: Abstract A carotid end-to-end anastomosis was performed in 50 Wistar rats (mean weight 260 g) by means of a Coherent 900 argon laser. Laser pulses (average 19) of 300 mW power and 5 s exposure time were used, the beam being focused to form a spot of 150 μm diameter. From day 0 to day 210, 13 specimens underwent scanning electron microscope examination. The results show that the laser impact produces a wall injury of 100 μm in width with some coagulative necrosis of the media and adventitia. The line of anastomosis became re-endothelialized within four days, at which time collagen fusion was observed in the subendothelial layers. The longitudinal arrangement of the endothelial cells was restored by day 10. In the long term, a thick collagenous meshwork maintained the strength of the media, while normal endothelium covered the anastomosis. Complications such as disruption and aneurysm formation were attributed to technical problems.
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    Lasers in medical science 1 (1986), S. 159-160 
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  • 35
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    Lasers in medical science 1 (1986), S. 163-174 
    ISSN: 1435-604X
    Keywords: Photodynamic therapy ; Malignant glioma ; Laser ; Haematoporphyrin derivative ; Photosensitizer
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    Notes: Abstract Interest in photodynamic therapy in the treatment of malignant gliomas began in the 1950s. Following the publication of papers showing that haematoporphyrin was excluded from the intact blood-brain barrier and that glioma cells grown in culture and subcutaneously could be killed by a combination of light and haematoporphyrin, a number of clinical trials was started, none of which has shown any measurable improvement in patient survival. The reason for this may relate to a lack of understanding of the mechanisms of photodynamic therapy and a lack of the scientific data needed to optimize photodynamic selectivity. This review discusses the potential role of photodynamic therapy in glioma treatment, and reviews the current clinical and experimental work in the field.
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  • 36
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    Lasers in medical science 1 (1986), S. 193-195 
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    Keywords: Photodynamic therapy ; γ-Irradiation ; Hypoxia
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    Topics: Medicine , Physics , Technology
    Notes: Abstract The presence of adequate oxygen appears to be essential for photodynamic therapy (PDT) of tumours (1, 2). We used the mouse sarcoma 180 tumour model to investigate how the reoxygenation of the tumour cell population after a single exposure to γ-irradiation influenced the effect of photodynamic therapy. The combination of γ-irradiation with PDT leads to a significant enhancement of the therapeutic effect. The best effect is observed when the γ-irradiation precedes the PDT by 24 h, at which time reoxygenation of the tumour is greatest. Also, there is some enhancement of the effect when PDT is given before γ-irradiation, although the mechanism of this is not yet clear.
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  • 37
    ISSN: 1435-604X
    Keywords: Oral tumours ; Maxillofacial tumours ; Radiotherapy ; Haematoporphyrin derivative
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    Notes: Abstract The efficacy of radiotherapy prior to surgery for the treatment of maxillofacial tumours is compared with and without sensitization with haematoporphyrin derivative (HPD). Residual tumour was found in the resected tissue in 92% of unsensitized but only 52% of sensitized cases, suggesting considerable enhancement of tumour destruction by use of the HPD.
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  • 38
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    Lasers in medical science 1 (1986), S. 267-270 
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  • 39
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    Lasers in medical science 1 (1986), S. 273-315 
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  • 40
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    Lasers in medical science 1 (1986), S. 272-272 
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  • 41
    ISSN: 1572-8854
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    Notes: Abstract The structure of the title compound, C16H14, was determined by X-rays:M r =206.29, monoclinic, space groupP21/n,a=5.002(1),b=23.972(5),c=9.505(2) Å,β=102.56(2)°,V c =1112.4 Å3,Z=4,D x =1.23 Mg m−3, MoKα radiation (graphite crystal monochromator, $$\bar \lambda = 0.71069$$ Å),μ(MoKα)=0.75 cm−1,T=290 K. Final conventionalR-factor=0.028,R w =0.030 for 742 unique reflections and 187 variables. The structure was solved usingMultan.
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  • 42
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    Journal of chemical crystallography 16 (1986), S. 31-39 
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    Notes: Abstract The X-ray structure of putrescinium hydrogen phosphate dihydrate, $$H_3 \mathop N\limits^ + (CH_2 )_4 \mathop N\limits^ + H_3 \cdot HPO_4^{2 - } \cdot 2H_2 O$$ , has been determined from three-dimensional diffractometer data and refined by full-matrix least-squares techniques. The crystals are monoclinic,P21/c, a=6.5932(4),b=16.776(1),c=9.2375(7) Å,β=95.772(6)°, andZ=4; finalR=0.036 for 1360 observed reflections. The putrescinium dication has the all-trans conformation. The structure contains a three-dimensional network of H bonds in which all available proton do nors are utilized. Each of the $$ - \mathop N\limits^ + H_3$$ groups interacts with three electron-rich atoms arranged in an equilateral triangle, but the character of the individual N-H⋯O bonds is different at opposite sides of the dication. The water molecules are involved in relatively strong H bonds but they do not interact with the cation.
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  • 43
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    Journal of chemical crystallography 16 (1986), S. 79-89 
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    Notes: Abstract The crystal structure of glycinium monophenylphosphate [NHsk3/+CH2COOH·C6H5OPO3H− has been determined. The crystals are orthorhohombic:Pbca (NO. 61),a=26.001(3),b=7.423(2),c=11.273(2) Å,Z=8. The structure was solved by direct methods, are refined toR=0.035 for 1499 independent reflections. The crystal structure is stabilized by a three-dimensional network of hydrogen bonds. The phosphate group is involved in five H bonds: three N⋯O and two O⋯O bonds, with the shortest distances 2.745(3) and 2.608(2) Å, respectively. The glycine cation is entirely planar, and a cationo-anionic form of the title compound has also been confirmed in solution byIR studies.
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  • 44
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    Journal of chemical crystallography 16 (1986), S. 101-106 
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    Notes: Abstract The structure of the polymeric rhodanine compound , C6H6CuIN2O2S4, was determined by X-rays.M r =456.8, monoclinic, space groupP21/c,a=4.1947(7),b=17.6999(12),c=17.1048(8) Å,β=96.15(1)°,V c =1262.6 Å3,Z=4,D c =2.40Mg m−3, CuKα radiation (graphite crystal monochromator, λ=1.54056 Å),μ(CuKα)=278.9 cms-1,F(000)=872,T=290 K. Final conventionalR-factor=0.029, andR w =0.044 for 2384 unique reflections and 153 variables. The structure was solved using Patterson methods andDirdif, and refined by full-matrix least-squares methods. The compound forms zigzag chains alonga. The copper atom is in trigonal pyramidal coordination, with two sulfur atoms of the thiocarbonyl group and two bridging iodine atoms. The copper-sulfur distances are 2.278(1) and 2.299(1) Å, and the copper-iodine distances are 2.657(1) and 2.814(1) Å.
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  • 45
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    Journal of chemical crystallography 16 (1986), S. 107-113 
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    Notes: Abstract The crystal structure of has been determined by X-ray analysis. The monoclinic cell, space groupC2/c witha=12.956(2),b=15.873(2),c=17.437(2) Å,β=105.90(1)° contains eight formula units. The structure was determined using MoKα. automatic diffractometer X-ray data and refined by full-matrix least squares toR=0.039 for 3025 reflections. Two crystallographically independent 3-memylrhodanines are coordinated to copper, and another 3-methylrhodanine is not bonded to copper and is in a disordered position around the crystallographic two-fold axis. In the dimeric structure with bridging chlorine atoms, the copper is in tetrahedral coordination with two chlorine and two sulfur atoms. The copper-copper distance is 2.906(1) Å.
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  • 46
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    Notes: Abstract Several alkyl-, aralkyl-, and aryl-substituted diammoniumμ-oxobis[trichloroferrate(III)] salts, of potential interest as model compounds for the study of certain electrophysical and biological processes, are synthesized via the corresponding tetrachloroferrate(III) salts and are characterized by IR and Raman spectroscopy. A structure analysis is performed on the representative bis(benzyldimethylphenylammonium)μ-oxobis(trichloroferrate). The (tetracoordinate) iron atoms in the oxo-bridged dinuclear anion of the salt each possess an ever so slightly distorted tetrahedral ligand environment; the bridge geometry [Fe-O distances 1.757(5) and 1.775(5) Å, Fe-O-Fe angle 147.7(3)°] compares well with that of other salts containing the [Cl3Fe-O-FeCl3]2- anion. Crystallographic Data:a=26.392(5) Å,b=14.015(3) Å,c=9.638(2) Å,β=92.65(2)°, andZ=4; space groupP21/n.R(F)=0.070,R W (F)=0.078 for 4447 observed reflections.
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  • 47
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    Notes: Abstract The crystal structure of the title compound (C15H19NO4, MW 277.3 amu) was determined by three-dimensional X-ray analysis from diffractometer data. Crystal data are: monoclinic,P21/n,a=9.600(3) Å,b=11.964(6) Å,c=12.802(4) Å,β=101.25(3)°,V=1442.1(16) Å3,Z=4;D x =1.277 Mg m−3;μ(MoKα)=0.10 mm−1. FinalR=0.055 for 1686 observed reflections having 2θ (MoKα)〈50° andI〉2.5 σ(I). The compound is isostructural withN-(2-methoxyacetyl)-N-(2,6-xylyl)-3-amino-1,3-oxazolidin-2-one. The dimethylphenyl ring is almost perpendicular to the amidic plane of the molecule (dihedral angle 81.9°); the butyrolactone ring is in the typical envelope conformation.
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  • 48
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    Notes: Abstract The crystal structure of the title compound has been determined from diffractometer data and refined with isotropic thermal parameters to finalR w factors ofR=0.058 andR w =0.056. It crystallizes in the orthorhombic space groupp212121 (No. 19), witha=9.706(7),b=18.826(6), andc=25.258(6) Å. The asymmetric unit contains four nitroprusside ions, eight potassium ions, and five water molecules, one of which shows disorder. The infrared spectra of the polycrystalline compound, both normal and with different degrees of deuteration at temperatures ranging from liquid nitrogen to room temperature, were obtained. The vibrational spectra present an unusual number of fundamental and first overtone NO stretching bands and a rich structure in the water bending region, in accordance with the existence of inequivalent nitroprusside ions and water molecules.
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  • 49
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    Notes: Abstract The crystal and molecular structure of the title compound has been determined by X-ray diffraction methods. It crystallizes in the monoclinic space groupP21/n witha=10.072(2),b=19.434(7),c=19.462(3) Å,β=101.07(1)° andZ=4. The anion has a geometry similar to that observed in other related complexes. The two water molecules are hydrogen bonded to each other and are located at van der Waals distances from nitrogen atoms of neighbor nitroprusside anions.
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  • 50
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    Notes: Abstract The title compound, Rb2H4M3, is C9H10O12Rb2, triclinic,P¯1,a=7.254(2),b=9.683(2),c=11.514(3) Å,α=107.05(2),/gb=103.81(2), γ=93.89 (2)°. The structure was solved by the heavy-atom method and refined by least-squares techniques to anR factor of 0.043 for 1649 observed reflections. Rb2H4M3 occurs as three independent molecules, two HM− and one H2M with different conformations. Rb2H4M3 has a type B2IR spectrum and has four short, intermolecular and unsymmetrical hydrogen bonds. Rb(1)+ and Rb(2)+ ions are coordinated to nine and ten carboxylate oxygen atoms, respectively. The coordination polyhedron for each Rb+ ion is a distorted tricapped trigonal prism.
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  • 51
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    Journal of chemical crystallography 16 (1986), S. 181-190 
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    Notes: Abstract From an aqueous mixture of 1,2,4,5-benzenetetracarboxylic acid, C6H2(CO2H)4, and KF we grew crystals first of KHF2 then of the title compound. An X-ray crystallographic determination of this compound shows a network of C6H2(CO 2 − )4 units linked through hydrogen bonds to water molecules. This is the first reported structure of a benzenecarboxylate anion. Two carboxylate groups are coplanar with the benzene ring, whereas the other two are perpendicular to it.
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  • 52
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    Notes: Abstract Δ1(6)-Dehydrosparteinium monoperchlorate, [C15H25N2]+·ClO 4 − , is orthorhombic∶P212121,a=12.473(2),b=24.292(3),c=10.835(1) Å,V c =3353.7(9) Å3,Z=8,D x =1.32,D m =1.32 g cm−3, μ(CuKα)=20.7 cm−1. The finalR was 0.097 for 2091 observed counter reflections. A partial disorder of the crystal structure has been observed. The two independent perchlorate anions are orientationally disordered, and the peripheral atoms in the cation skeletons have large temperature factors due both to conformational disorder of ringsA and to disordered orientations of the whole cations alike. In ringsA, atoms C(3) and C(4), trans-annular to the immonium bond, are disordered to a different extent in each of the two independent cations. RingsB,C, andD have sofa (distorted towards half-chair), chair, and chair conformations, respectively. The quinolizidinium and quinolizidine moieties have planar and cis configurations, respectively. The title compound was obtained from Δ5-dehydrosparteine, the product of mercuric acetate dehydrogenation of sparteine at room temperature. From13C NMR measurements in2H2O and in DMSO-2H6 it is evident that, in solution, the molecular geometry with chair/chair cis-ring fusion within the quinolizidine moiety is present, as was found in the crystalline state by X-ray analysis.
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  • 53
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    Journal of chemical crystallography 16 (1986), S. 227-232 
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    Notes: Abstract The crystals of the title compound (C12H13NO4) are orthorhombic,P212121 witha=8.541(3),b=10.988(1), andc=11.912(1) Å.M r =235.24, mp 427 K,Z=4,D x =1.348 Mg m−3, λ(MoKα=0.71069 Å, μ=0.11 mm−1,T=293 K. The structure was solved by direct methods and refined by full-matrixs least squares to a finalR=0.028 for 1180 observed reflections. The molecules are connected by N-H⋯O (ring carbonyl) intermolecular H⋯O hydrogen bonds of 2.24(2) Å. The 4-oxo-1,3-dioxane ring is in a slightly distorted sofa conformation with a ΔC s 1 asymmetry parameter of 3.6(2)° and the 5-methyl substituent in a pseudoaxial position. The benzoyl oxygen is turned toward the ring, resulting in a close O⋯H(C6) contact of 2.45(2) Å.
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  • 54
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    Notes: Abstract The crystal structures ofendo- andexo-2,3-dimethoxy-N-[8(phenylmethyl)-8-azabicyclo[3.2.1]oct-2-y1]benzamide hydrochloride have been determined by single-crystal X-ray diffraction techniques, and refined by full-matrix least squares. The endo-compound crystallizes in the monoclinic space groupP21/n witha=12.389(2) Å,b=22.861(3) Å,c=8.019(2) Å,β=93.58(2)°, andZ=4; the exo-compound crystallizes in the monoclinic space groupP21/a witha=26.295(12) Å,b=12.503(4) Å,c=6.667(7) Å,β=97.80(6)°, andZ=4. The calculated densities are 1.22 and 1.27 g cm−3 respectively. FinalR-factors are 0.04 for the endo and 0.05 for the exo-compound. Comparison with a very active analog, the tropapride, suggests that the lack of antipsychotic activity is due to a different orientation of the dimethoxyphenyl or carbonyl group for the exo- and endo-compound, respectively.
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  • 55
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    Journal of chemical crystallography 16 (1986), S. 217-226 
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    Notes: Abstract The linear dichroism of the complexes of thymine and cytosine with silver(I) ions dispersed in stretched polyvinylalcohol films was measured in the infrared and in the near ultraviolet regions of the spectrum. The infrared results were helpful in establishing the orientation of the complexes in the films; they also confirmed that the site of silver binding in the case of cytosine involves the carbonyl oxygen. The ultraviolet spectra were deconvoluted into separate electronic transitions and the corresponding transition moments of silver complexes were determined.
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  • 56
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    Notes: Abstract The crystal and molecular structure of the title compound hexamethyl-perhy-drotetraazapyrene (I) has been determined by X-ray diffraction methods. The compound crystallizes in the triclinic system, space groupP¯1, with cell dimensionsa=7.715(1),b=10.580(2),c=11.926(2) Å, andα=94.37(1)°,β=104.87(1)°, and γ=107.27(1)°. Since the usual direct methods failed, the structure was solved by a semiempirical optimization of packing a model ofI in the unit cell, in terms of the van der Waals' intermolecular energy. The atomic parameters at the most energetically favored position were then refined by least squares against 2396 observed unique reflections, giving a finalR of 0.067. The semiempirical solution used here seems to be limited to particular cases. The molecule ofI consists of two fused piperazine and two fused hexahydropyrimidine rings, having slightly distorted chair conformations. The rings form a foldedcis-10b,10c system of almost exactC 2 point group symmetry. The lone methyl groups in positions 3 and 8 (at the folding) are found to be axially attached. The geminal methyl groups in positions 1 and 6 are situated away from the folding.
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  • 57
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    Notes: Abstract The crystal stucture of a synthetic monoquaternary azasteroid containig an acetylcholine-like moiety, 17a-(2-acetoxyethyl)-17a-aza-d-homo-5 androsten-3β-yl-acetate methiodide (HS465) (C26H42NO4)+I−, has been determined by the heavy-atom method and refined by full-matrix least squares toR=0.0410 for 2462 reflections, using MoKα radiation (λ=0.7114 Å). The crystals are monoclinic:P21,a=15.244(4),b=9.009(6),c=9.886(3) Å,β=104.26°(3),Z=2. RingsA andC have distorted-chair conformations, ring d-homo is a symmetrical chair, and ringB is a half-chair. The acetoxyethyl side-group appended to N(17a) simulates an acetylcholine-like moiety, and exhibits a conformation similar to that frequently adopted by acetylcholine itself in the presence of heavy anions.
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  • 58
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    Notes: Abstract The racemic form of the title compound C8H18O4S4 (TTCD), a twelve-membered cyclic disulfide, has been synthesized and studied by X-ray diffraction. TTCD·H2O crystallizes in a multiply twinned pseudo-monoclinicC-centered lattice. For convenience aC-centered triclinic unit cell was chosen of dimensionsa=33.855(3),b=5.534(1),c=14.836(2) Å, α=90.05(1),β=94.76(1), γ=89.22(1)°,V=2769(1) Å3,Z=8, space groupC¯1. The structure, solved by direct methods, was refined to anR of 0.063, using 2769 observed reflections. The two crystallographically independent TTCD molecules in the unit cell have very similar conformations. The distortion from the pseudomonoclinic symmetry is discussed in relation to the hydrogen bonding network.
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  • 59
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    Journal of chemical crystallography 16 (1986), S. 429-441 
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    Notes: Abstract 6-Nitro-trichloromethy1-4-dichloromethylene-1,3-benzdioxin is monoclinic,C2/c,a=12.906(2) Å,b=19.957(2) Å,c=19.992(2) Å,β=99.05(1)°,Z=8. The structure was solved by direct methods, from data collected at room temperature on an Enraf-Nonius CAD4 diffractometer, and refined by least squares to a finalR value of 0.032 using 1838 reflections. The compound exhibits a distorted envelope structure in the dioxin ring, and the trichloromethyl group is in the equatorial position. The angle between the planes each containing a group of three atoms from either end of the double bond of the:C(ring)=CCl2 moiety is 3.8(2)°: a short discussion of deformations found in other compounds which contain:C(ring)=CC12 in light atom structures is given. The benzene ring is slightly puckered and planarity has been retained about the carbon atoms which are common to both rings.
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    Journal of chemical crystallography 16 (1986), S. 449-458 
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    Notes: Abstract The crystal structure of a well-defined 5-coordinate complex, dichloro-(2,2′∶6′, 2″-terpyridyl)-tin(II), is described. The stereochemistry of this complex is strongly influenced by the stereochemically active pair of electrons, illustrating clearly the potential donor capabilities of this molecule. The complex (C15H11Cl2N3Sn) crystallizes in the monoclinic space groupC2/c (No. 15) witha=15.770(5),b=9.450(2),c=10.482(2) Å,β=97.53(2)°,Z=4. The finalR value is 0.029 for 1085 observed reflections.
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    Journal of chemical crystallography 16 (1986), S. 475-482 
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    Notes: Abstract The title compound is Ru3(μ-Cl)2(CO)8(PPh3)2. Crystal data: formula C44H30O8Cl2P2Ru3;f w =1122.9; monoclinic,P21; cell parameters (at 293 K)a=10.971(2) Å,b=17.066(2) Å,c=11.833(2) Å,β=92.91(1)°,V=2213 Å3,Z=2,ρ calcd=1.68,ρ meas=1.68. Final discrepancy indices areR(F)=0.030,R W (F)=0.036. The structure consists of an open trinuclear unit involving two metal-metal bonds [Ru(1)-Ru(2)=2.845(1) Å, Ru(2)-Ru(3)=2.860(1) Å]. The open edge of the metal framework [Ru(1)⋯Ru(3)=3.254(1) Å] is supported by two symmetric bridging chloride ligands [Cl(1)-Ru(1)=2.461(2) Å; Cl(1)-Ru(3)=2.464(2) Å; Cl(2)-Ru(1)=2.470(2) Å; Cl(2)-Ru(3)=2.472(2) Å]. Both phosphorus ligands are cis to the Cl atoms and trans to the unique ruthenium atom Ru(2). Geometric features of the edge dibridged complex are discussed.
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    Journal of chemical crystallography 16 (1986), S. 467-474 
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    Notes: Abstract The crystal structure of 1β-methyl-4α-isopropylcyclohexyl-spiro-5′-hydantoin has been determined by single-crystal X-ray diffraction techniques, and refined by full-matrix least-squares methods. The molecule C12H20N2O2·H2O crystallizes with one molecule of water in the orthorombicP212121 space group, witha=15.869(5),b=14.043(4),c=6.240(2) Å, andZ=4; the finalR factor was 0.032. The X-ray results showed that both substituents (methyl and isopropyl) in the cyclohexyl ring are in thetrans configuration. The configuration of the molecule is in agreement with suggestions of organic chemists.
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    Notes: Abstract C34H43O16N·CH3OH·H2O is monoclinic,C 2 2 -P21. Unit cell dimensions at 293 K area=9.159(3),b=17.017(5),c=13.675(5) Å,β=109.49(2)°,V=2009(1) Å3,D c =1.28 g cm−3, andZ=2. The structure has been determined from single-crystal data collected with a four-circle diffractometer and refined from 2367 reflections down toR=0.064 andωR=0.082. The structural features determined from chemical and spectroscopic studies are confirmed and extended. The absolute configuration was determined by comparison with known absolute stereochemistry of the bromoacetylneoevonine monohydrate. The acanthothamine molecule is an evonine and neoevonine analogue showing an epimeric configuration at C(17) of the evoninic acid residue. The A and B rings adopt chair conformations. The C ring has a half-chair conformation. The crystal structure is stabilized by a three-dimensional network of hydrogen bonds and a number of intramolecular C-H⋯O and C-H⋯N interactions.
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  • 64
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    Notes: Abstract The crystal structure of the 2∶1 channel complex of desoxycholic acid and ethyl acetate has been investigated at 298 and 163 K. The space group isP212121(No. 19) with four molecules of desoxycholic acid in the unit cell. The ethyl acetate molecules are enclathrated along the 21 axes parallel toc and exhibit differing degrees of disorder in the low- and room-temperature structures. Differences in the disorder imply that it is both statistical and dynamic in nature. Our best model for each structure yieldsR=0.064 [R w =0.058,w=(σ 2 F)−1] andR=0.068 [R w =0.064,w=(σ 2 F) −1 ] for the ambient- and low-temperature studies respectively.
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  • 65
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    Journal of chemical crystallography 16 (1986), S. 577-584 
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    Notes: Abstract Reaction of [Rh(CO)2Cl]2 with Bu t SLi followed by refluxing with PPh3 yields [Rh(μ-SBu t )(CO)(PPh3)]2(1). The structure of (1) has been determined by X-ray crystallography. Empirical formula: Rh2P2S2C46H48O2,M=964.78, triclinic, P¯1,a=11.408(9),b=13.241(8),c=15.830(3) Å,α=93.67(3),β=93.12(5),γ=110.8(6)°,Z=2,D calc=1.44 g cm−3,R=0.048 (R w =0.062) for 5939 observed reflections. In the solid state, the compound exhibitscis geometry with respect to the phosphine and CO ligands. The geometry about the two metals is essentially square planar, with a dihedral angle of 103.2°, and a “butterfly angle” of 102.3°. Compound (1) is stereochemically rigid on the NMR time scale from −80 to +80°C.
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  • 66
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    Journal of chemical crystallography 16 (1986), S. 597-606 
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    Notes: Abstract The crystal structure ofN-(2-morpholinoethyl)-2-oximato-1-phenylpropan-1-iminechloropalladium(II), [Pd(L)Cl], has been determined from X-ray data collected by counter methods. The compound crystallizes in the orthorhombic space groupPna21 with four molecules per unit cell, the dimensions of which area=9.602(2),b=8.150(1),c=21.181(4) Å. Full matrix least-squares refinement gave a finalR value of 0.042 for the 3218 independent observed reflections. The oxime ligand is deprotonated and is acting as a tridentate ligand coordinating to the palladium through the oxime nitrogen, the imine nitrogen, and the tertiary amine nitrogen of the morpholine moiety. To complete four-coordination about the palladium atom, a chloride ion is also attached to the central metal atom. The donor atoms plus the palladium atom are planar.
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  • 67
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    Journal of chemical crystallography 16 (1986), S. 607-616 
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    Notes: Abstract 6-nitro-2-trichloromethyl-1,3-benzdioxin-4-one is monoclinic,P21/n;a=5.969(2),b=11.646(1),c=16.953(1) Å;β=98.03(2)°;Z=4. The structure was solved by direct methods, from data collected at room temperature on an Enraf-Nonius CAD4 diffractometer, and refined by least squares to a finalR value of 0.030 using 1530 reflections. The heterocyclic ring is a distorted half-boat and is substituted equatorially by a trichloromethyl group. Dihedral angles are (a) 4.87(7)° between the mean plane of the aromatic ring and the plane containing the two carbon atoms common to both rings plus the two atoms bonded to these, and (b) 16.8(2)° between the carbonyl group and the aromatic ring. The conformation is discussed with reference to the two previously reported X-ray structures of 1,3-benzdioxin-4-ones and to two isocoumarins.
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  • 68
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    Notes: Abstract The crystal structures of the gallium(II) complexes (Ph3PH)2Ga2X6 (X=Cl, Br, I) have been determined. The anions are Ga-Ga bonded species, with staggered ethane conformations; the length of the Ga-Ga bond increases only slightly along the series I〉Br〉Cl, although there are significant changes in the Ga-Ga stretching force constant in the order Cl〉Br〉I. The vibrational spectra and derived force constants are discussed, as is the splitting of thev(P-H) [andv(P-D)] mode of the cation which is related to disorder in the structure of the neighboring Ga2X6 2− anions.
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  • 69
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    Journal of chemical crystallography 16 (1986), S. 1-1 
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    Journal of chemical crystallography 16 (1986), S. 3-21 
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    Notes: Abstract The electronic and magnetic circular dichroism spectra of thin layers of Cu1 and AgI halides have beem measured at low (~ 10 K) temperatures. The mcd spectra show clearA-terms which, in the case of the silver halides and for one band of cuprous iodide, have unexpected negative signs. A qualitative theoretical interpretation of these signs has been attempted by considering halogen-p and metals/d atomic orbital mixing within the framework of a simple, tight-binding model. Reasonable agreement of theory with experiment has been achieved for the positive copper halideA-terms, but it has not proved possible to obtain by calculation the experimentally observed negativeA-term sign of the silver salts and cuprous iodide.
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  • 71
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    Notes: Abstract The title mixed-ligand copper(II) complex has been synthesized and its crystal structure at room temperature solved. The crystals are monoclinic:P21/c,a=12.004(3),b=19.402(5),c=14.192(4) Å,β=108.80(3)°,Z=4. The structure was solved by direct methods, and refined to anR value of 0.041 for 4457 nonzero independent reflections. The crystal structure consists of discrete [Cu(bipy) (MPhP)] units, noncoordinated MPhPH2, and H2O molecules. Each [Cu(bipy)2(MPhP)] unit involves a five coordinate CuN4O chromophore with a distorted trigonal-bipyramidal stereochemistry. The phosphate groups are linked together by short hydrogen bonds of (P)-O-H-⋯-O-P type.
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    Journal of chemical crystallography 16 (1986), S. 71-78 
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    Notes: Abstract The structure of the title compound, C10H13ClO2S, was determined by X-rays:M r =232.72, monoclinic, space groupP21,a=6.4902(6),b=12.022(1),c=14.130(3) Å,β=103.11(1)°,V c =1073.7 Å3,Z=4,D x =1.44 Mg m−3. MoKα radiation (graphite crystal monochromator, λ=0.71069 Å),μ(MoKα)=4.9 cm−1,F(000)=342,T=293 K. Final conventionalR-factor=0.035 for 2221 observed reflections and 252 variables. The structure was solved usingDirdif. The absolute configuration of the structure is reported. The two independent molecules differ primarily in the orientation of the sulfine group with respect to the camphor moiety.
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  • 73
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    Notes: Abstract The structure of the title compound (perhydroisoindole) was determined by X-rays, using CuKα radiation (graphite-crystal monochromator, λ=1.54184 Å):T=290 K, C16H17NO4,M r =287.31, orthorhombic, space groupPbcn,a=18.732(1),b=10.663(1),c=14.074(1) 0A,V c =2811.2 Å3,Z=8,D x =1.361 Mg m−3 and μ(CuKα)=8.19 cm−1. The final conventionalR-factor=0.036, (R w =0.046) for 1951 unique reflections and 241 variables. The structure was solved usingMultan. The six-membered ring of the molecule is in the chair configuration. The molecules are connected by hydrogen bonds.
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  • 74
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    Journal of chemical crystallography 16 (1986), S. 347-416 
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    Notes: Abstract The crystal structure analyses along with other physical measurements of 1,2-dithiolene complexes have made it possible to derive many interesting properties of these complexes. This review focuses attention mainly on the structural aspects and physical properties of 1,2-dithiolene complexes of transition metals. Brief mention of the structural aspects of complexes such as 1,2-dithiooxalate complexes and dithiosquarate complexes is included. In addition, structural aspects of a few available non-transition metal complexes are briefly discussed. The idea that bulky counterions lead to nonplanar structures has been disproved by the nonplanarity observed in the anion of [(CH3)4N]2[Cu(S2C2(CN)2)2]. The analysis of the significance of overall charge shows that the ionic effect is prevalent in [M(dithiolene)2] n− systems. Crystal structure analyses of some bis(dithiolene) complexes of transition metals along with conductivity measurements have shown that it is possible to correlate the electrical behavior to the crystal structure, provided the sample crystals are good. The two-dimensional network structure of the mixed valence compound, [(n-C4H9)4N]0.29 [Ni(S2C2S2CS)2], proposes the possibility of reaching the ultimate goal (superconductivity) with this type of compounds.
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    Journal of chemical crystallography 16 (1986), S. 443-443 
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  • 77
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    Notes: Abstract The structure of the title compound C21H22O3, was determined by X-rays.Minr=322.4, monoclinic, space groupP21/a,a=11.960(2),b=14.275(3),c=10.858(2) Å,β=103.20(2)°,V c =1804.8 Å3,Z=4,D x =1.223 Mg m−3. CuKα radiation (graphite crystal monochromator,λ=1.54184 Å),μ(CuKα)=6.53 cm−1,F(000)=688, T=290 K. Final conventionalR factor=0.050,R w =0.069 for 1679 unique reflections and 284 variables. The structure was solved usingMultan.
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    Journal of chemical crystallography 16 (1986), S. 495-505 
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    Notes: Abstract Ethanoldiphenylthallium(III) dithizonate, (C27H27N4SOTl,M r =659.97) is monoclinic,P21/c,a=9.776(3),b=16.761(4),c=16.750(5) Å,β=95.72(2)°,Z=4. The structure was solved by the heavy atom method, from data collected at room temperature on an Enraf-Nonius CAD4 diffractometer. The data were corrected for absorption, and the refinement, using 2329 reflections, by least squares with anisotropic temperature factors for the thallium and sulfur atoms, converged atR=0.046. The complex is monomeric and comprises a distorted trigonal bipyramid with an almost planar bidentate dithizone residue coordinating through sulfur and nitrogen. A molecule of ethanol is coordinated axially as is the nitrogen atom of the dithizone, while the carbon atoms of the phenyl rings attached to the metal and the sulfur atom of the ligand are equatorial. Tl-S and Tl-N distances are 2.648(4) and 2.62(1) Å respectively while Tl-O is 2.64(1) and Tl-C are 2.12(1) and 2.14(1) Å.
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  • 79
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    Notes: Abstract The synthesis and crystal and molecular structure of the title compound is reported. It belongs to the monoclinic space groupP21/a witha=29.3990 (20),b=7.1150 (6),c=8.3140 (9) Å,β=98.060 (9)° andZ=4. The structure was refined to a finalR of 3.52% (R w %=3.82) for 2354 observed reflections. Vibrational spectra have been recorded and discussed.
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  • 80
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    Notes: Abstract The title compound crystallizes in the orthorhombic space groupp212121∶a=8.674(1),b=8.944(1),c=23.255(4) Å,Z=4. The structure was solved by direct methods, and refined by full-matrix least squares toR=0.047 for 1472 observed reflections. Determination of the absolute configuration [S at C(9)] enabled a discrepancy in the literature concerning the stereochemical outcome of the reaction between SOCl2 and quinine to be resolved.
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  • 81
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    Notes: Abstract Spectroscopic analysis of eight copper(II) complexes of Schiff bases derived from taurine and eight different salicylaldehydes and naphthaldehydes are reported. X-ray structural analysis of the copper(II) complex of the 5-NO2-sali-cylaldehyde imine of taurine (5-NO2-salicylaldimine ethylene sulfonic acid) as the tetran-butylammonium salt [Cu(C9H8N2O6S)2]2−2[(C4H9)4N]+ (CUTAU-TBA) has been carried out. The space group isP¯1, witha=8.761(4),b=10.410(3),c=16.528(4) Å,α=77.85(3),β=86.53(4), γ=79.15(3)°, andZ=1. The structure was solved by the heavy-atom method and refined by least-squares techniques to anR factor of 0.068 for 2807 observed reflections. The CUTAU cation is centrosymmetric, with the Cu atom sitting on a crystal-lographic centre of symmetry. The copper atom has a square-planar environment, coordinated by the potentially tridentate Schiff base only through the imino nitrogen and the phenolate oxygen with the deprotonated sulfonic group directed away from the coordination sphere of the Cu(II).
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    Journal of chemical crystallography 16 (1986), S. 159-167 
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    Notes: Abstract The crystal and molecular structure of the title compound, C20H8N4S12Ni, is reported. Crystals are triclinic, space groupP¯1 (No. 2) withz=1 in a cell of dimensionsa=8;482(2),b=7.950(2),c=9.976(2) Å,α=95.64(2),β=98.60(2), and γ=87.65(2)°. The structure was solved by Fourier methods and refined by the method of least squares toR=0.033 for 2027 unique reflections. The Ni atom has an approximate square-planar configuration with Ni-S(1)=2.179(1), Ni-S(2)=2.175(1) Å, and the S(1)-Ni-S(2) bite angle of 91.89(4)°. The anions and the cations form a mixed stack (DAD-DAD-⋯) along the diagonal of theab plane, showing the possibility of unusual electrical behavior.
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  • 83
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    Journal of chemical crystallography 16 (1986), S. 681-685 
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    Notes: Abstract The title compound, [(CH3)4N] [VO(l-His)(NCS)2]·H2O, has been prepared by the reaction of [(CH3)4N]4[VO(NCS)4]2·H2O with histidine in aqueous solution. The crystal is orthorhombic, space groupP212121 witha=9.839(6),b=11.835(5),c=17.366(6) Å,Z=4. The structure was solved by direct methods and refined by full-matrix least-squares to anR of 0.073 for 1067 reflections. In the complex anion VO2+ was coordinated by two thiocyanate groups and al-histidine which functions as a tridentate chelate.
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    Journal of chemical crystallography 16 (1986), S. 629-637 
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    Notes: Abstract Crystals of 5-ethyl,5-(1′,3′-dimethylbut-2′-enyl) barbituric acid (13M2B), mp 139°C, are triclinic, space groupP¯1,Z=2, witha=8.134(2),b=9.210(2),c=9.265(2),α=91.91(1),β=105.66(2), and γ=96.83(2)°. The structure was solved by direct methods, and refined by least-squares procedures to giveR=0.065 for 2056 observed diffraction data. The 5-ethyl and the 1′,3′-dimethylbut-2′-enyl groups are both directed over the plane of the barbiturate ring. It is suggested that the conformation of the latter is stabilized byπ interactions between the isobutenyl group and the delocalizedπ system of the ring.
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  • 86
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    Notes: Abstract A 1∶1 crystalline adduct of hexamethylenetetramine with phenylacetic acid, (CH2)6N4·C6H5CH2COOH, has been isolated and characterized by X-ray analysis. The compound crystallizes in space groupI¯4 (No. 82), witha=20.576(3),c=6.907(1) Å, andZ=8. The crystal structure is composed of a packing of discrete molecular aggregates corresponding to the stoichiometric formula, each being consolidated by a N⋯H-O hydrogen bond of length 2.643(8) Å, which has no significant effect on the regular geometry of the (CH2)6N4 cage system. The C-CO2 and phenyl groups in the C6H5CH2COOH moiety make a dihedral angle of 74(1)°. The structure has been refined toR=0.071 for 1350 observed (∥F o ∥〉2σ∥F o ∥) MoKα data.
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  • 87
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    Notes: Abstract The structure of the title compound, C12H16O3, was determined by X-rays.M r =208.26, triclinic, space groupP¯1,a=7.802(2),b=8.449(2),c=9.069(1) Å,α=90.79(1)°,β=105.57(1)°, γ=106.07(1)°,Z=2,D x =1.26 Mg m−3; MoKα radiation (graphite crystal monochromator, λ=0.71069 Å),μ(MoKα)=0.96 cm−1,T=290 K. Final conventionalR-factor=0.046,R w =0.067 for 3009 “observed” reflections and 184 variables. The structure was solved using Patterson methods andDirdif, and the resulting all cis-endo configuration of the alcohol group on C(3) and the ethoxy group on C(5) shows that the stereochemistry of the metal-mediated addition reaction involved is solely determined by steric factors.
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  • 88
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    Notes: Abstract Reaction of dmpe (bis(1,2-dimethylphosphino)ethane) with CrCl3(THF)3 gives deep red crystalline Cr2(dmpe)3(Cl)6·2CH2Cl2 in 85% yield. The X-ray crystal structure of the title compound shows a bridgingtrans dmpe ligand between two isolated Cr(III) centers. Each Cr(III) atom bears a chelating dmpe group and three Cl atoms in a roughly octahedral geometry. Crystal data: C20H48Cl10Cr2P6,M=933.0, monoclinic,P21/n,a=9.221(3),b=10.587(2),c=21.868(2) Å,β=98.962(3)°,D calc=1.47 g cm−3,Z=2. FinalR=0.054,R w =0.063 from 1964 observed reflections (I〉3σ(I)), 3489 measured.
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    Journal of chemical crystallography 16 (1986), S. 687-694 
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    Notes: Abstract The formula of the title compound is C22H30N2,M T =322.5; monoclinic:P21,a=7.569(3),b=9.381(1),c=13.684(4) Å,β=105.81(2)°,Z=2,V c =933.7 Å3,D x =1.15 g cm−3,μ(CuKα)=5.1 cm−1. The sparteine skeleton (bis-quinolizidine system) has atrans-trans configuration. RingA has an intermediate form between the sofa and half-chair conformations, ringsB andD-chair, and ringC-boat conformations, respectively. The double bond C(2)=C(3) is equal to 1.343(9) Å. The phenyl ring is planar and makes an angle with a plane through N(1), C(2), C(3), and C(4) atoms equal to 43.9°.
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  • 90
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    Notes: Abstract cis-Diaquabis(2,2′-bipyridyl)chromium(III) nitrate crystallizes in the mono-clinic system, space groupP21/c, witha=16.102(6),b=10.792(5),c=15.076(6) Å,β=112.90(5)°, andZ=4. The saltlike structure was determined from X-ray crystallography and refined toR=7.5% for 3342 observed reflections. The Cr atom is octahedrally surrounded by twocis water molecules and by two chelated 2,2′-bypiridyl ligands forming two nearly orthogonal planes. Selected bond distances are: Cr-O, 2.00(1) and 1.98(1) Å, Cr-N, 2.04 Å (mean).
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    Journal of chemical crystallography 16 (1986), S. 721-727 
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    Notes: Abstract The crystal and molecular structure of the title compound is reported. The crystals are monoclinic,P21/c,a=9.578 (1),b=15.339 (2),c=7.674(1) Å,β=109.61(1)°. The structure was solved by Patterson and Fourier methods, and refined by full-matrix least squares toR=0.0542,R w =0.0575 for 645 unique reflections. Coordination around the mercury is intermediate between tetrahedral and trigonal pyramidal with two terminal and two bridging bonds. Vibrational spectra were also redetermined and discussed.
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    Journal of chemical crystallography 16 (1986), S. 729-738 
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    Notes: Abstract The X-ray crystal structures of three halo(tetramethylethylenediamine)copper(I) complexes have been determined. (TMED)2Cu+CuCl 2 − (I) crystallizes in monoclinic space groupP21/n with lattice constantsa=9.332(9),b=15.126(7),c=14.49(1) Å,β=96.95(7)°. (TMEDCuBr)2 (II) crystallizes in monoclinic space groupP21/c with lattice constantsa=12.064(5),b=11.888(6),c=15.841(6) Å,β=113.97(3)°. (TMED CuI)2 (III) crystallizes in monoclinic space groupP21/c with lattice constantsa=12.401(6),b=12.159(6),c=15.412(9) Å,β=109.12(4)°. Compound (I) is a molecule exhibiting two discrete environments for copper(I). The cation is a pseudotetrahedral monomer and the anion a linear monomer. Both (II) and (III) are dimers with asymmetrically bridging bromine and iodine atoms, respectively. Distortions from tetrahedral geometry are observed about the copper atoms in (II) and (III).
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    Journal of chemical crystallography 16 (1986), S. 747-754 
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    Notes: Abstract The structure of the title compound, C13H14N2O3, was determined by X-rays.M r =246.26, orthorhombic, space group P212121,a=6.809(1),b=10.041(2),c=17.571(2) Å,V c =1196.5 Å3,Z=4,D x =1.36 Mg m−3. MoKα radiation (graphite crystal monochromator, λ=0.71069 Å),μ(MoKα)=1.06 cm−1,T=290 K. Final conventionalR-factor=0.037,R w =0.039 for 1377 unique reflections and 205 variables. The structure was solved usingMultan. The synthesis of the title compound involved a ring-closing reaction with an optically pureN-α-halophenylacetyl-(S)-proline methyl ester of known absolute configuration. From this the absolute configuration of the title compound could be determined, and it could be proved that the reaction proceeds according to anS N 2 process.
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  • 94
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    Journal of chemical crystallography 16 (1986), S. 283-294 
    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The boat conformation ofα-parachloral [2,4,6-tris(trichloromethyl)-1,3,5-trioxane] has been confirmed by X-ray crystallography. Evidence for a chair conformation based upon calculations of dipole moments has been shown to be unreliable, but the possibility of this existing in solution has been studied by1H and13C NMR spectroscopy. The X-ray structures of bothα- andβ-parachloral have been redetermined.
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  • 95
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    Journal of chemical crystallography 16 (1986), S. 301-301 
    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
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  • 96
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    Journal of chemical crystallography 16 (1986), S. 303-303 
    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
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  • 97
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    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Δ1(6)-Dehydrosparteinium diperchlorate, [C15H26N2]2+·2ClO 4 − , is tetragonal; space groupP43,a=9.368(1),c=21.719(3) Å,Z=4,V c =1906.1(5) Å3,D x =1.51g cm−3,μ(CuKα)=35.0 cm−1. The finalR=0.055 for 1259 independent reflections. Atoms C(3) and C(4), which are trans-annular to the immonium bond in ringA, are disordered, as was observed for other bis-quinolizidine immonium salts. RingsB, C, andD have sofa, chair and chair conformations, respectively. The quinolizidinium and quinolizidine moieties have planar and cis configurations. The title compound was obtained by mercuric acetate dehydrogenation of sparteine to Δ5-dehydrosparteine and protonation of the latter with methanolic solution of perchloric acid to pH=2.0. From13C NMR measurements in DMSO-2H6 and in2H2O it is evident that in solution the chair/chair cis-ring fusion is present within the protonated quinolizidine moiety-identical to that found in the crystalline state by X-ray analysis.
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  • 98
    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The structure of the title compound (C10H8N8Br2Zn·1/2H2O), prepared from the ligand and zinc bromide in ethanol, was solved by X-rays analysis.M r =465.18, monoclinic, space groupP21/n,a=21.2376(11),b=7.1339(6),c=20.0469(11) Å,β=98.583(4)°,V c =3003.2 Å3,Z=8,D x =2.057 Mg m−3,μ(Cu Kα)=87 cm−1,F(000)=1832,T=300 K. Final conventionalR-factor=0.034 andR w =0.036 for 4255 unique reflections withI〉 3σ(I) out of 5685 measurements. The structure was solved using automatic programsPatsys andDirdif. The two independent molecules are almost identical. The Zn atom is tetrahedrally coordinated by two Br atoms and two N(3) atoms of the triazolopyrimidine ligands. The planar triazolopyrimidine ligands make angles of 94.0 and 57.5° (moleculeA) with the ZnBr2 plane (98.6 and 57.0° for moleculeB). The water molecule is involved in hydrogen bonds with bromine only.
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  • 99
    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The structure of the the title compound, C30H29NO, was determined by X-rays.M r =419.57, triclinic, space groupP1,a=5.8922(12),b=8.5855(11),c=12.2216(20) Å,α=78.145(12)°,β=79.181(15)°, γ=76.108(14)°,V c =581.1(1) Å3,Z=1,D x =1.199 Mg m−3. CuKα radiation (graphite crystal monochromator, λ=1.54184 Å),μ(CuKα)=5.17 cm−1,T=290K. Final conventionalR-factor=0.039,R w =0.042 for 2795 observed reflections and 377 variables. The structure was solved usingMultan andDirdif. With a view to determining the conformational preference of the piperidine ring when it is highly sustituted with a bulky group like the phenyl group, the present X-ray investigation was undertaken.
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  • 100
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    Journal of chemical crystallography 16 (1986), S. 841-850 
    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract 6,8-dinitro-2,4-bis(trichloromethyl)-1,3-benzdioxin is monoclinic,P21/c,Z=4,a=12.348(2),b=11.575(3),c=12.183(4) Å,β=107.48(2)°. The structure was solved by direct methods, from data collected at room temperature on an Enraf-Nonius CAD4 diffractometer, and refined by least-squares to a finalR value of 0.032 using 2192 reflections. The heterocyclic ring is an envelope structure, the dihedral angle between the plane of the aromatic ring and that containing five of the atoms of the heterocycle being 4.98(6)°. One -CCl3 group is pseudoequatorial while the (Ar-C)CCl3 group is pseudoaxial. C-Ceq 1.526(3) Å; C-Cax 1.537(3) Å; C-C(Cax)-O 112.4(2)°; C(Cax)-O-C(Ceq) 115.2(2)°.
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