Information card for entry 2224430

Structure parameters

• Chemical name: 1-Bromo-3,5-diphenylbenzene
• Formula: C18 H13 Br
• Calculated formula: C18 H13 Br
• SMILES: Brc1cc(cc(c1)c1ccccc1)c1ccccc1
• Title of publication: 1-Bromo-3,5-diphenylbenzene
• Authors of publication: Wang, Zhi-Qiang; Li, Hong-Mei; Sun, Xiao-Juan; Cen, Fei-Fei; Ji, Bao-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3082
• a: 11.0782 ± 0.0012 Å
• b: 7.7495 ± 0.0008 Å
• c: 16.7782 ± 0.0017 Å
• α: 90°
• β: 107.441 ± 0.001°
• γ: 90°
• Cell volume: 1374.2 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes