Structure Determination of a Complex Organic Solid from X-Ray Powder Diffraction Data by a Generalized Monte Carlo Method: The Crystal Structure of Red Fluorescein

Angewandte Chemie (International Edition in English)

Volumn 36, Issue 7, 1997, Pages 770-772

  Tremayne, Maryjane ^b   Kariuki, Benson M ^a   Harris, Kenneth D M ^a  

^a UNIVERSITY OF BIRMINGHAM   (United Kingdom)

^b UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

Fluorescein; Monte carlo methods; Structure elucidation; Synchrotron irradiation; X ray powder diffraction

Indexed keywords

EID: 0030803089     PISSN: 05700833     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.199707701     Document Type: Article

References (26)

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19. 13C NMR spectroscopy [19] confirmed that the fluorescrin molecules are in the quinoid form. For powder diffraction measurements, the sample was loaded into a capillary (1.0 mm diameter) and mounted on the high-resolution powder diffractometer at station 2.3 of the Synchrotron Radiation Source, Daresbury Laboratory. The X-ray powder diffraction data were recorded with 2θ in the range 5° to 60° in 0.01° steps, at a wavelength of 1.4000 Å. The total data collection time was 90 minutes. The data at high diffraction angle were not significant above the noise level, and only data in the range 5° <2θ<45° were used in the structure determination calculations.
20. A. E. Aliev, M. Tremayne, B. M. Kariuki, K.D. M. Harris, unpublished results.
21. 1a.
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