Information card for entry 2206213

Structure parameters

• Chemical name: (Z)-2,3-Dichloro-1,1,4,4-tetrakis-(4-chlorophenyl)but-2-ene
• Formula: C28 H18 Cl6
• Calculated formula: C28 H18 Cl6
• SMILES: Clc1ccc(cc1)C(c1ccc(Cl)cc1)C(=C(/Cl)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)/Cl
• Title of publication: (<i>Z</i>)-2,3-Dichloro-1,1,4,4-tetrakis(4-chlorophenyl)but-2-ene
• Authors of publication: Shimakoshi, Hisashi; Aritome, Isao; Tokunaga, Mami; Hisaeda, Yoshio
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o2063 - o2064
• a: 7.1993 ± 0.0005 Å
• b: 9.2058 ± 0.0007 Å
• c: 19.9448 ± 0.0016 Å
• α: 101.133 ± 0.002°
• β: 100.209 ± 0.002°
• γ: 91.704 ± 0.002°
• Cell volume: 1273.64 ± 0.17 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes