Crystallography Open Database

Information card for entry 2200456

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Structure parameters

Common name	Diflunisal
Formula	C14.5 H7 F2 O3
Calculated formula	C14.5 H7 F2 O3
Title of publication	Diflunisal‒hexane (4/1)
Authors of publication	Hansen, Lars Kr.; Perlovich, German L.; Bauer-Brandl, Annette
Journal of publication	Acta Crystallographica Section E
Year of publication	2001
Journal volume	57
Journal issue	7
Pages of publication	o604 - o606
a	34.826 ± 0.017 Å
b	3.7296 ± 0.0016 Å
c	20.703 ± 0.01 Å
α	90°
β	110.63 ± 0.05°
γ	90°
Cell volume	2517 ± 2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1885
Residual factor for significantly intense reflections	0.0662
Weighted residual factors for all reflections included in the refinement	0.2003
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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