Crystallography Open Database

Information card for entry 2102889

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Structure parameters

Formula	C12 H9 Cl1.8 F0.2 N O2 S
Calculated formula	C12 H9 Cl1.8 F0.2 N O2 S
Title of publication	Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures
Authors of publication	Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.
Journal of publication	Acta Crystallographica Section B
Year of publication	2007
Journal volume	63
Journal issue	4
Pages of publication	621 - 632
a	26.4119 ± 0.0008 Å
b	26.4119 ± 0.0008 Å
c	9.3936 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	5674.9 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0646
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.118
Weighted residual factors for all reflections included in the refinement	0.1259
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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