Information card for entry 2219576

Structure parameters

• Chemical name: (2E,5E)-2,5-Bis(3,4,5-trimethoxybenzylidene)cyclopentanone
• Formula: C25 H28 O7
• Calculated formula: C25 H28 O7
• SMILES: COc1cc(/C=C2\CC/C(=C\c3cc(OC)c(c(c3)OC)OC)C2=O)cc(c1OC)OC
• Title of publication: (2<i>E</i>,5<i>E</i>)-2,5-Bis(3,4,5-trimethoxybenzylidene)cyclopentanone
• Authors of publication: Sun, Yi-Feng; Liu, Yang; Zhang, Feng-Yu; Chen, Hong-Ji; Cui, Yi-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o1964
• a: 18.573 ± 0.004 Å
• b: 15.231 ± 0.003 Å
• c: 8.846 ± 0.0018 Å
• α: 90°
• β: 113.99 ± 0.03°
• γ: 90°
• Cell volume: 2286.2 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0787
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes