Information card for entry 2225935

Structure parameters

• Chemical name: 2',10'-Dibromospiro[cylohexane-1,6-dibenzo[<i>d</i>,<i>f</i>][1,3]dioxepine]
• Formula: C18 H16 Br2 O2
• Calculated formula: C18 H16 Br2 O2
• SMILES: Brc1ccc2c(c1)c1cc(Br)ccc1OC1(CCCCC1)O2
• Title of publication: 2',10'-Dibromospiro[cylohexane-1,6-dibenzo[<i>d</i>,<i>f</i>][1,3]dioxepine]
• Authors of publication: Zhang, Cheng-Bo; Zhang, Hai-Quan; Li, Qing-Shan; Xing, Guang-Zhong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1047
• a: 17.793 ± 0.004 Å
• b: 10.143 ± 0.005 Å
• c: 18.279 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3299 ± 2 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0914
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes