Information card for entry 2200466

Structure parameters

• Formula: C7 H7 Br5
• Calculated formula: C7 H7 Br5
• SMILES: Br[C@H]1[C@@H](Br)[C@@H]2[C@@H](Br)C(Br)(Br)[C@H]1C2.Br[C@@H]1[C@H](Br)[C@H]2[C@H](Br)C(Br)(Br)[C@@H]1C2
• Title of publication: 2,2-<i>exo</i>-3,5,6-Pentabromobicycloheptane
• Authors of publication: Hökelek, Tuncer; Çelik, Ïsmail; Tutar, Ahmet; Çakmak, Osman
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 8
• Pages of publication: o709 - o711
• a: 6.765 ± 0.002 Å
• b: 13.822 ± 0.002 Å
• c: 12.114 ± 0.003 Å
• α: 90°
• β: 94.92 ± 0.02°
• γ: 90°
• Cell volume: 1128.6 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1616
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes