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Refinement of hexamethylenetetramine based on diffractometer and imaging‐plate data
Author(s) -
Grochowski J.,
Serda P.,
Wilson K. S.,
Dauter Z.
Publication year - 1994
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889894002116
Subject(s) - hexamethylenetetramine , diffractometer , rotation (mathematics) , optics , data set , scanner , resolution (logic) , powder diffractometer , detector , materials science , crystallography , physics , computer science , chemistry , artificial intelligence , diffraction , scanning electron microscope , organic chemistry
Two data sets were collected on single crystals of hexamethylenetetramine (urotropin) using a four‐circle diffractometer with Cu Kα radiation and an imaging‐plate two‐dimensional detector with Mo Kα source using the rotation method. Both data sets extend to the same limit of sin θ / λ = 0.62 Å −1 , corresponding to a resolution of 0.81 Å. Different processing protocols were employed for the two sets of data. Structure refinements carried out separately with each data set led to equivalent results of comparable accuracy. The imaging‐plate scanner was able to provide X‐ray data of high quality in a significantly shorter time than the diffractometer.