Information card for entry 2221526

Structure parameters

• Chemical name: Tetramethyl 4,4'-carbonylbis(benzene-1,2-dicarboxylate)
• Formula: C21 H18 O9
• Calculated formula: C21 H18 O9
• SMILES: O(C(=O)c1cc(ccc1C(=O)OC)C(=O)c1cc(c(cc1)C(=O)OC)C(=O)OC)C
• Title of publication: Tetramethyl 4,4'-carbonylbis(benzene-1,2-dicarboxylate)
• Authors of publication: Zhu, Xin-Yi; Gao, Guo-Wei; Men, Jian; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o794
• a: 11.8627 ± 0.0002 Å
• b: 17.3678 ± 0.0003 Å
• c: 9.2506 ± 0.0002 Å
• α: 90°
• β: 95.15 ± 0.001°
• γ: 90°
• Cell volume: 1898.2 ± 0.06 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.06
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes