Information card for entry 2223713

Structure parameters

• Chemical name: (<i>R</i>,<i>R</i>)-4,4'-Dibromo-2,2'-[cyclohexane-1,2- diylbis(nitrilomethylidyne)]diphenol
• Formula: C20 H20 Br2 N2 O2
• Calculated formula: C20 H20 Br2 N2 O2
• SMILES: Oc1ccc(cc1/C=N/[C@@H]1CCCC[C@H]1/N=C/c1cc(Br)ccc1O)Br
• Title of publication: (<i>R</i>,<i>R</i>)-4,4'-Dibromo-2,2'-[cyclohexane-1,2-diylbis(nitrilomethylidyne)]diphenol
• Authors of publication: Yi, Jianhong; Hu, Shuangqi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2643
• a: 5.9323 ± 0.0016 Å
• b: 19.079 ± 0.005 Å
• c: 9.009 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1019.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes