Information card for entry 2208407

Structure parameters

• Chemical name: 10-(4-Bromostyryl)anthracene
• Formula: C22 H15 Br
• Calculated formula: C22 H15 Br
• SMILES: Brc1ccc(cc1)/C=C/c1c2ccccc2cc2ccccc12
• Title of publication: 10-(4-Bromostyryl)anthracene
• Authors of publication: Wu, Jie-Ying; Li, Lin; Tian, Lei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o1011 - o1012
• a: 17.966 ± 0.004 Å
• b: 5.8413 ± 0.0011 Å
• c: 31.627 ± 0.006 Å
• α: 90°
• β: 98.582 ± 0.003°
• γ: 90°
• Cell volume: 3281.9 ± 1.1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 3
• 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: 0.0805
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes