Information card for entry 2217670

Structure parameters

• Chemical name: (E)-1-(4-Bromophenyl)-2-(4-tert-butylphenyl)-1-phenylethene
• Formula: C24 H23 Br
• Calculated formula: C24 H23 Br
• SMILES: Brc1ccc(cc1)/C(=C/c1ccc(cc1)C(C)(C)C)c1ccccc1
• Title of publication: (<i>E</i>)-1-(4-Bromophenyl)-2-(4-<i>tert</i>-butylphenyl)-1-phenylethene
• Authors of publication: Kim, Chul-Bae; Cho, Chul-Hee; Chai, Kyu Yun; Park, Kwangyong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o457 - o457
• a: 8.295 ± 0.0004 Å
• b: 10.8173 ± 0.0005 Å
• c: 13.0447 ± 0.0006 Å
• α: 112.415 ± 0.003°
• β: 94.57 ± 0.003°
• γ: 105.402 ± 0.003°
• Cell volume: 1021.47 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.116
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes