Crystallography Open Database

Information card for entry 2004834

2004833 << 2004834 >> 2004835

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Coordinates	Coordinates are not available: file is not found.
Original IUCr paper	HTML

Structure parameters

Formula	C30 H24 Cl2 S2
Calculated formula	C30 H24 Cl2 S2
SMILES	Clc1cccc(c1)CS/C(=C\C=C(c1ccccc1)/SCc1cccc(c1)Cl)c1ccccc1
Title of publication	(1<i>Z</i>,3<i>Z</i>)-1,4-Diphenyl-1,4-bis(3-chlorophenylmethylthio)buta-1,3-diene
Authors of publication	Freeman, F.; Lu, H.; Ziller, J. W.
Journal of publication	Acta Crystallographica Section C
Year of publication	1996
Journal volume	52
Journal issue	5
Pages of publication	1207 - 1209
a	13.0354 ± 0.0008 Å
b	6.3471 ± 0.0005 Å
c	15.8833 ± 0.0014 Å
α	90°
β	107.217 ± 0.006°
γ	90°
Cell volume	1255.25 ± 0.17 Å³
Cell temperature	168 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.064
Goodness-of-fit parameter for significantly intense reflections	1.61
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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