Information card for entry 2235094

Structure parameters

• Common name: 7,8-Dispirocyclohexyl-7,8-dihydrodibenzo[<i>f</i>,<i>h</i>][1,4]dioxecine-5, 10-dione
• Chemical name: 1,1'-Bicyclohexyl-1,1'-diyl 1,1'-biphenyl-2,2'-dicarboxylate
• Formula: C26 H28 O4
• Calculated formula: C26 H28 O4
• SMILES: O=C1OC2(CCCCC2)C2(CCCCC2)OC(=O)c2c(c3c1cccc3)cccc2
• Title of publication: 1,1'-Bicyclohexyl-1,1'-diyl 1,1'-biphenyl-2,2'-dicarboxylate
• Authors of publication: Fun, Hoong-Kun; Quah, Ching Kheng; Wu, Dongdong; Zhang, Yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1627
• a: 16.8289 ± 0.0007 Å
• b: 10.5919 ± 0.0005 Å
• c: 11.4752 ± 0.0005 Å
• α: 90°
• β: 99.967 ± 0.001°
• γ: 90°
• Cell volume: 2014.58 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0381
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1073
• 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