Information card for entry 2218099

Structure parameters

• Chemical name: 2,2'-Bi[6,6'-dimethyldibenzo[d,f][1,3]dioxepine]
• Formula: C30 H26 O4
• Calculated formula: C30 H26 O4
• SMILES: c12ccc(cc1c1c(OC(O2)(C)C)cccc1)c1ccc2c(c1)c1ccccc1OC(O2)(C)C
• Title of publication: 2,2'-Bi[6,6'-dimethyldibenzo[<i>d</i>,<i>f</i>][1,3]dioxepine]
• Authors of publication: Zhang, Hai-Quan; Bao-Li; Yang, Guang-Di; Ma, Yu-Guang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o817
• a: 13.2938 ± 0.0016 Å
• b: 7.32 ± 0.0017 Å
• c: 12.7067 ± 0.0011 Å
• α: 90°
• β: 103.61 ± 0.03°
• γ: 90°
• Cell volume: 1201.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1092
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 0.806
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes