Information card for entry 2214302

Structure parameters

• Chemical name: 2,6-Bis(4-bromobenzylidene)cyclohexanone
• Formula: C20 H16 Br2 O
• Calculated formula: C20 H16 Br2 O
• SMILES: c1(ccc(cc1)/C=C1\CCC/C(=C\c2ccc(cc2)Br)C1=O)Br
• Title of publication: 2,6-Bis(4-bromobenzylidene)cyclohexanone
• Authors of publication: Li-You Zhou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3113 - o3113
• a: 10.44 ± 0.002 Å
• b: 15.724 ± 0.003 Å
• c: 16.426 ± 0.004 Å
• α: 75.703 ± 0.003°
• β: 87.057 ± 0.003°
• γ: 89.122 ± 0.004°
• Cell volume: 2609.5 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1207
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes