Information card for entry 2204208

Structure parameters

• Chemical name: (E)-2,3-Dichloro-1,1,4,4-tetrakis(4-chlorophenyl)but-2-ene
• Formula: C28 H18 Cl6
• Calculated formula: C28 H18 Cl6
• SMILES: ClC(=C(\C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl)/C(c1ccc(cc1)Cl)c1ccc(cc1)Cl
• Title of publication: (<i>E</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: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: o1470 - o1471
• a: 7.6756 ± 0.0006 Å
• b: 9.2556 ± 0.0007 Å
• c: 10.2911 ± 0.0008 Å
• α: 66.459 ± 0.001°
• β: 88.165 ± 0.002°
• γ: 67.361 ± 0.002°
• Cell volume: 612.18 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0426
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes