Crystallography Open Database

Information card for entry 7238199

Preview

Coordinates	7238199.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H10 Cl N O2
Calculated formula	C14 H10 Cl N O2
Title of publication	Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene
Authors of publication	Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	12
Pages of publication	4101
a	3.9173 ± 0.0001 Å
b	25.9126 ± 0.0003 Å
c	24.4686 ± 0.0003 Å
α	90 ± 0.001°
β	93.151 ± 0.001°
γ	90 ± 0.001°
Cell volume	2479.99 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	A 1
Hall space group symbol	A 1
Residual factor for all reflections	0.1131
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.1222
Weighted residual factors for all reflections included in the refinement	0.1496
Goodness-of-fit parameter for all reflections included in the refinement	0.986
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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