Diffuse X-ray scattering from 4,4-dimethoxybenzil, C 16 H 14 O 4 : analysis via automatic refinement of a Monte Carlo model
Date
2003
Authors
Welberry, Thomas
Heerdegen, Aidan
Journal Title
Journal ISSN
Volume Title
Publisher
Munksgaard International Publishers
Abstract
A recently developed method for fitting a Monte Carlo computer-simulation model to observed single-crystal diffuse X-ray scattering has been used to study the diffuse scattering in 4,4′-dimethoxybenzil, C16H 14O4. A model involving only nine parameters,
Description
Keywords
Keywords: Benzene; Computer simulation; Diffusion; Hydrogen bonds; Least squares approximations; Mathematical models; Monte Carlo methods; X ray scattering; Diffuse scattering; Intermolecular forces; Intermolecular interactions; Quality of fit; Crystal structure
Citation
Collections
Source
Acta Crystallographica Section B: Structural Science
Type
Journal article