Information card for entry 2219427

Structure parameters

• Chemical name: Tetramethyl biphenyl-2,3,3',4'-tetracarboxylate
• Formula: C20 H18 O8
• Calculated formula: C20 H18 O8
• SMILES: O(C(=O)c1cccc(c1C(=O)OC)c1cc(c(cc1)C(=O)OC)C(=O)OC)C
• Title of publication: Tetramethyl biphenyl-2,3,3',4'-tetracarboxylate
• Authors of publication: Gao, Guo-wei; Ma, Xiao-yan; Jiang, Yan; Chen, Wei; Men, Jian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1779
• a: 14.395 ± 0.004 Å
• b: 13.453 ± 0.004 Å
• c: 21.013 ± 0.003 Å
• α: 90°
• β: 108.45 ± 0.04°
• γ: 90°
• Cell volume: 3860.1 ± 1.9 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.177
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes