Information card for entry 8101385

Structure parameters

• Formula: C7 H6 Br6
• Calculated formula: C7 H6 Br6
• SMILES: Br[C@@H]1[C@H]2C(Br)(Br)[C@H](Br)[C@@H](C1(Br)Br)C2.Br[C@H]1[C@@H]2C(Br)(Br)[C@@H](Br)[C@H](C1(Br)Br)C2
• Title of publication: Crystal structure of 2,2-exo-3,5,5-exo-6-hexabromobicycloheptane, C~7~H~6~Br~6~
• Authors of publication: Akkurt, Mehmet; Χelik, İsmail; Tutar, Ahmet; Χakmak, Osman; İde, Semra
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 4
• Pages of publication: 529 - 530
• a: 7.2717 ± 0.0007 Å
• b: 17.152 ± 0.002 Å
• c: 10.0043 ± 0.0007 Å
• α: 90°
• β: 97.722 ± 0.007°
• γ: 90°
• Cell volume: 1236.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0859
• Weighted residual factors for significantly intense reflections: 0.2272
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No