Information card for entry 2234654

Structure parameters

• Common name: 7-Phenyl-7,8-dihydrodibenzo[<i>f</i>,<i>h</i>][1,4]dioxecine-5,10-dione
• Chemical name: 1-Phenylethane-1,2-diyl 1,1'-biphenyl-2,2'-dicarboxylate
• Formula: C22 H16 O4
• Calculated formula: C22 H16 O4
• SMILES: O=C1OC(COC(=O)c2c(c3ccccc13)cccc2)c1ccccc1
• Title of publication: 1-Phenylethane-1,2-diyl 1,1'-biphenyl-2,2'-dicarboxylate
• Authors of publication: Fun, Hoong-Kun; Quah, Ching Kheng; Wu, Dongdong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1551
• a: 21.2454 ± 0.0015 Å
• b: 13.2363 ± 0.0007 Å
• c: 12.1954 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3429.5 ± 0.4 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• 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: 0.0907
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes