Information card for entry 2210011

Structure parameters

• Chemical name: (1RS,2RS,3SR,4SR,9RS)-1,2,3,9-Tetrabromo-1,2,3,4-tetrahydro- 1,4-methanonaphthalene
• Formula: C11 H8 Br4
• Calculated formula: C11 H8 Br4
• SMILES: Br[C@@H]1[C@H]2c3c([C@@](Br)([C@H]1Br)[C@H]2Br)cccc3.Br[C@H]1[C@@H]2c3c([C@](Br)([C@@H]1Br)[C@@H]2Br)cccc3
• Title of publication: (1<i>RS</i>,2<i>RS</i>,3<i>SR</i>,4<i>SR</i>,9<i>RS</i>)-1,2,3,9-Tetrabromo-1,2,3,4-tetrahydro-1,4-methanonaphthalene
• Authors of publication: Ísmail Çelik; Cem Cüneyt Ersanlı; Mehmet Akkurt; Arif Daştan; Santiago García-Granda
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3483 - o3485
• a: 6.622 ± 0.0001 Å
• b: 13.649 ± 0.0003 Å
• c: 13.735 ± 0.0003 Å
• α: 90°
• β: 92.079 ± 0.001°
• γ: 90°
• Cell volume: 1240.6 ± 0.04 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes