Information card for entry 2214399

Structure parameters

• Chemical name: (2E,2'E)-3,3'-(1,4-Phenylene)bis[1-(3,4-methoxyphenyl)prop-2-en-1-one]
• Formula: C28 H26 O6
• Calculated formula: C28 H26 O6
• SMILES: COc1cc(ccc1OC)C(=O)/C=C/c1ccc(cc1)/C=C/C(=O)c1ccc(c(c1)OC)OC
• Title of publication: (2E,2'<i>E</i>)-3,3'-(1,4-Phenylene)bis[1-(3,4-dimethoxyphenyl)prop-2-en-1-one]
• Authors of publication: Harrison, William T. A.; H. J. Ravindra; M. R. Suresh Kumar; S. M. Dharmaprakash
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3068 - o3068
• a: 10.6974 ± 0.0009 Å
• b: 10.4056 ± 0.0009 Å
• c: 11.0337 ± 0.0009 Å
• α: 90°
• β: 111.015 ± 0.002°
• γ: 90°
• Cell volume: 1146.5 ± 0.17 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0629
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1171
• 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