Information card for entry 2207467

Structure parameters

• Chemical name: 2,5-Bis(2,2-diphenylethenyl)thiophene
• Formula: C32 H24 S
• Calculated formula: C32 H24 S
• SMILES: s1c(ccc1C=C(c1ccccc1)c1ccccc1)C=C(c1ccccc1)c1ccccc1
• Title of publication: 2,5-Bis(2,2-diphenylethenyl)thiophene
• Authors of publication: Zeller, Matthias; Hunter, Allen D.; Hoefnagels, Roel; Geise, Herman; Blockhuys, Frank
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4183 - o4184
• a: 26.732 ± 0.0014 Å
• b: 9.7504 ± 0.0005 Å
• c: 21.9268 ± 0.0012 Å
• α: 90°
• β: 125.989 ± 0.001°
• γ: 90°
• Cell volume: 4624.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No