Information card for entry 2232426

Structure parameters

• Common name: exo-3,4-Dibromo-6,7-benzobicyclo[3.2.1]octa-2,6-diene
• Chemical name: 10,11-dibromotricyclo[6.3.1.0^2,7^]dodeca-2,4,6,9-tetraene
• Formula: C12 H10 Br2
• Calculated formula: C12 H10 Br2
• SMILES: BrC1=C[C@H]2c3c([C@@H]([C@@H]1Br)C2)cccc3.BrC1=C[C@@H]2c3c([C@H]([C@H]1Br)C2)cccc3
• Title of publication: <i>exo</i>-10,11-Dibromotricyclo[6.3.1.0^2,7^]dodeca-2,4,6,9-tetraene
• Authors of publication: Johnson, Kevin R. D.; Bender, Christopher O.; Boeré, René T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2975
• a: 6.8554 ± 0.0005 Å
• b: 8.0926 ± 0.0006 Å
• c: 10.1024 ± 0.0007 Å
• α: 78.936 ± 0.001°
• β: 78.867 ± 0.001°
• γ: 83.665 ± 0.001°
• Cell volume: 538.13 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0171
• Residual factor for significantly intense reflections: 0.0158
• Weighted residual factors for significantly intense reflections: 0.0394
• Weighted residual factors for all reflections included in the refinement: 0.0403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes