Information card for entry 2210286

Structure parameters

• Chemical name: Dimethyl 2,5-dibenzoylterephthalate
• Formula: C24 H18 O6
• Calculated formula: C24 H18 O6
• SMILES: COC(=O)c1cc(c(cc1C(=O)c1ccccc1)C(=O)OC)C(=O)c1ccccc1
• Title of publication: Dimethyl 2,5-dibenzoylterephthalate
• Authors of publication: Shan Liu; Jun-Mei Tang; Hong-Jun Zhu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3829 - o3830
• a: 5.391 ± 0.003 Å
• b: 9.192 ± 0.001 Å
• c: 20.656 ± 0.002 Å
• α: 90°
• β: 93.25 ± 0.03°
• γ: 90°
• Cell volume: 1021.9 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1164
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1521
• Weighted residual factors for all reflections included in the refinement: 0.1858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes