Information card for entry 2235097

Structure parameters

• Common name: 7,8-Dispirocyclopropyl-7,8-dihydrodibenzo[f,h][1,4]dioxecine-5,10-dione
• Chemical name: 1,1'-Bicyclopropyl-1,1'-diyl 1,1'-biphenyl-2,2'-dicarboxylate
• Formula: C20 H16 O4
• Calculated formula: C20 H16 O4
• SMILES: O=C1OC2(C3(OC(=O)c4c(c5ccccc15)cccc4)CC3)CC2
• Title of publication: 1,1'-Bicyclopropyl-1,1'-diyl 1,1'-biphenyl-2,2'-dicarboxylate
• Authors of publication: Fun, Hoong-Kun; Quah, Ching Kheng; Xu, Kai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1630
• a: 26.3197 ± 0.0014 Å
• b: 9.4184 ± 0.0005 Å
• c: 13.3606 ± 0.0007 Å
• α: 90°
• β: 100.092 ± 0.001°
• γ: 90°
• Cell volume: 3260.7 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0658
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes