Information card for entry 2205969

Structure parameters

• Chemical name: 12-Bromo-1,2,3,4-tetrahydro-1,4-ethanoantracen-11-ol
• Formula: C16 H15 Br O
• Calculated formula: C16 H15 Br O
• SMILES: Br[C@H]1[C@H](O)[C@@H]2c3cc4c(cc3[C@H]1CC2)cccc4.Br[C@@H]1[C@@H](O)[C@H]2c3cc4c(cc3[C@@H]1CC2)cccc4
• Title of publication: 12-Bromo-1,2,3,4-tetrahydro-1,4-ethanoanthracen-11-ol
• Authors of publication: Çoruh, Ufuk; Altundaş, Aliye; Menzek, Abdullah; García-Granda, Santiago
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o1869 - o1871
• a: 9.854 ± 0.001 Å
• b: 12.316 ± 0.001 Å
• c: 12.488 ± 0.001 Å
• α: 79.928 ± 0.01°
• β: 77.248 ± 0.01°
• γ: 66.719 ± 0.01°
• Cell volume: 1351.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes