Information card for entry 2235095

Structure parameters

• Common name: 7-(4-Methoxyphenyl)-7,8-dihydrodibenzo[f,h][1,4]dioxecine-5,10-dione
• Chemical name: 1-(4-Methoxyphenyl)ethane-1,2-diyl 1,1'-biphenyl-2,2'-dicarboxylate
• Formula: C23 H18 O5
• Calculated formula: C23 H18 O5
• SMILES: O1C(=O)c2ccccc2c2ccccc2C(=O)OCC1c1ccc(OC)cc1
• Title of publication: 1-(4-Methoxyphenyl)ethane-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: 6
• Pages of publication: o1628
• a: 14.0049 ± 0.0005 Å
• b: 10.8637 ± 0.0004 Å
• c: 12.719 ± 0.0005 Å
• α: 90°
• β: 110.15 ± 0.001°
• γ: 90°
• Cell volume: 1816.69 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0479
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes