Information card for entry 2213114

Structure parameters

• Chemical name: (2<i>E</i>,5<i>E</i>)-2,5-Bis(2,3,4-trimethoxybenzylidene)cyclopentanone
• Formula: C25 H28 O7
• Calculated formula: C25 H28 O7
• SMILES: O(c1c(OC)c(OC)c(cc1)/C=C\1C(=O)/C(=C/c2c(OC)c(OC)c(OC)cc2)CC1)C
• Title of publication: (2<i>E</i>,5<i>E</i>)-2,5-Bis(2,3,4-trimethoxybenzylidene)cyclopentanone
• Authors of publication: Du, Zhi-Yun; Zhang, Kun; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2595 - o2596
• a: 12.6636 ± 0.0006 Å
• b: 15.4927 ± 0.0008 Å
• c: 19.297 ± 0.001 Å
• α: 108.089 ± 0.001°
• β: 95.412 ± 0.001°
• γ: 111.242 ± 0.001°
• Cell volume: 3261.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1208
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1584
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes