Information card for entry 2221167

Structure parameters

• Chemical name: <i>trans</i>-1,2,3-Tris(4-methoxybenzoyl)cyclopropane
• Formula: C27 H24 O6
• Calculated formula: C27 H24 O6
• SMILES: COc1ccc(cc1)C(=O)C1C(C1C(=O)c1ccc(cc1)OC)C(=O)c1ccc(cc1)OC
• Title of publication: <i>trans</i>-1,2,3-Tris(4-methoxybenzoyl)cyclopropane
• Authors of publication: Sun, Jingjing; She, Nengfang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o588
• a: 10.1897 ± 0.0006 Å
• b: 10.626 ± 0.006 Å
• c: 10.6931 ± 0.0006 Å
• α: 90.736 ± 0.001°
• β: 103.194 ± 0.001°
• γ: 92.432 ± 0.001°
• Cell volume: 1125.9 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0921
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes