<i>Ab initio</i> structure determination of nanocrystals of organic pharmaceutical compounds by electron diffraction at room temperature using a Timepix quantum area direct electron detector
Authors of publication
van Genderen, E.; Clabbers, M. T. B.; Das, P. P.; Stewart, A.; Nederlof, I.; Barentsen, K. C.; Portillo, Q.; Pannu, N. S.; Nicolopoulos, S.; Gruene, T.; Abrahams, J. P.
Journal of publication
Acta Crystallographica Section A
Year of publication
2016
Journal volume
72
Journal issue
2
Pages of publication
236 - 242
a
7.303 ± 0.011 Å
b
11.693 ± 0.002 Å
c
7.33 ± 0.03 Å
α
90°
β
113.68 ± 0.14°
γ
90°
Cell volume
573 ± 3 Å3
Cell temperature
293 ± 2 K
Ambient diffraction temperature
293 ± 2 K
Number of distinct elements
4
Space group number
14
Hermann-Mauguin space group symbol
P 1 21/c 1
Hall space group symbol
-P 2ybc
Residual factor for all reflections
0.3459
Residual factor for significantly intense reflections
0.3026
Weighted residual factors for significantly intense reflections
0.6088
Weighted residual factors for all reflections included in the refinement
0.6385
Goodness-of-fit parameter for all reflections included in the refinement
