Information card for entry 2230100

Structure parameters

• Common name: (6<i>RS</i>,9<i>SR</i>)-6,7-Dibromo-1,2,3,4-tetrahydro-1,4-methanoanthracene
• Chemical name: (6<i>RS</i>,9<i>SR</i>)-6,7- dibromotetracyclo[10.2.1.0^2,11^.0^4,9^]pentadeca-2,4(9),5,7,10-pentaene
• Formula: C15 H12 Br2
• Calculated formula: C15 H12 Br2
• SMILES: Brc1cc2cc3[C@@H]4CC[C@H](c3cc2cc1Br)C4
• Title of publication: (6<i>RS</i>,9<i>SR</i>)-6,7-Dibromo-1,2,3,4-tetrahydro-1,4-methanoanthracene
• Authors of publication: Chen, Kew-Yu; Chang, Ming-Jen; Fang, Tzu-Chien
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1147
• a: 23.437 ± 0.003 Å
• b: 6.3565 ± 0.0008 Å
• c: 18.416 ± 0.002 Å
• α: 90°
• β: 111.781 ± 0.002°
• γ: 90°
• Cell volume: 2547.7 ± 0.5 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes