Information card for entry 2203231

Structure parameters

• Common name: halfppt
• Chemical name: 1,1-diphenyl-2-(4-methylphenyl)ethene
• Formula: C21 H18
• Calculated formula: C21 H18
• SMILES: c1(ccccc1)C(=Cc1ccc(cc1)C)c1ccccc1
• Title of publication: 2-(4-Methylphenyl)-1,1-diphenylethene
• Authors of publication: Vande Velde, Christophe M. L.; Wuyts, Cindy; Geise, Herman J.; Blockhuys, Frank
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: o248 - o249
• a: 8.906 ± 0.001 Å
• b: 16.768 ± 0.003 Å
• c: 10.628 ± 0.003 Å
• α: 90°
• β: 93.39 ± 0.02°
• γ: 90°
• Cell volume: 1584.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• 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: 0.1266
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes