Information card for entry 2228631

Structure parameters

• Chemical name: 4,4'-Dibromo-7,7'-dimethoxy-1,1'-spirobiindane
• Formula: C19 H18 Br2 O2
• Calculated formula: C19 H18 Br2 O2
• SMILES: Brc1ccc(OC)c2c1CCC12CCc2c(Br)ccc(OC)c12
• Title of publication: 4,4'-Dibromo-7,7'-dimethoxy-1,1'-spirobiindane
• Authors of publication: Yao, Min; Ding, Yanfeng; Wang, Zi-jia; Deng, Yuheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3191
• a: 8.3487 ± 0.0003 Å
• b: 10.4831 ± 0.0003 Å
• c: 11.6293 ± 0.0004 Å
• α: 112.047 ± 0.002°
• β: 105.559 ± 0.002°
• γ: 94.28 ± 0.002°
• Cell volume: 891.11 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0421
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes