Information card for entry 2004834

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 ų
• 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 Fobs: No