Information card for entry 8102740

Structure parameters

• Formula: C23 H23 Br S2
• Calculated formula: C23 H23 Br S2
• SMILES: Brc1ccc(C2CC(=C(C2)c2c(sc(c2)C)C)c2cc(sc2C)C)cc1
• Title of publication: Crystal structure of 3,3'-(4-(4-bromophenyl)cyclopent-1-ene-1,2-diyl)-bis(2,5-dimethylthiophene), C23H23BrS2
• Authors of publication: Xiaochuan Li; Zhengzheng Guo; Young-A Son; Jiange Wang; Sheng Wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 2
• Pages of publication: 415
• a: 7.3409 ± 0.0019 Å
• b: 8.949 ± 0.002 Å
• c: 32.747 ± 0.009 Å
• α: 90°
• β: 94.825 ± 0.003°
• γ: 90°
• Cell volume: 2143.6 ± 0.9 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0964
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for significantly intense reflections: 0.1697
• Weighted residual factors for all reflections included in the refinement: 0.1775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No