Information card for entry 2220406

Structure parameters

• Chemical name: 3,3'-Dibromo-4,4'-[(1<i>R</i>,2<i>R</i>)-cyclohexane-1,2- diyldiimino]dipent-3-en-2-one
• Formula: C16 H24 Br2 N2 O2
• Calculated formula: C16 H24 Br2 N2 O2
• SMILES: CC(=C(/C(=O)C)Br)/N[C@@H]1CCCC[C@H]1N/C(=C(\C(=O)C)Br)C
• Title of publication: 3,3'-Dibromo-4,4'-[(1<i>R</i>,2<i>R</i>)-cyclohexane-1,2-diyldiimino]dipent-3-en-2-one
• Authors of publication: Zhang, Yun-Qian; Zhang, Qi-Long; Zhu, Bi-Xue
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o203 - o204
• a: 9.249 ± 0.005 Å
• b: 9.35 ± 0.006 Å
• c: 21.82 ± 0.02 Å
• α: 90°
• β: 99.122 ± 0.013°
• γ: 90°
• Cell volume: 1863 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1122
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes