Information card for entry 8102681

Structure parameters

• Chemical name: (2E,6E)-2,6-bis(2,4-dimethoxybenzylidene)cyclohexanone
• Formula: C24 H26 O5
• Calculated formula: C24 H26 O5
• SMILES: O=C1C(=C\c2ccc(OC)cc2OC)\CCCC\1=C/c1ccc(OC)cc1OC
• Title of publication: Crystal structure of (2E,6E)-2,6-bis(2,4-dimethoxybenzylidene)cyclohexanone, C24H26O5
• Authors of publication: Yu-Hong Gai; Jian Wei; Guang-Ye Wang; Jing-Mei Lu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 2
• Pages of publication: 288
• a: 16.4159 ± 0.0016 Å
• b: 7.6772 ± 0.0008 Å
• c: 16.2411 ± 0.0015 Å
• α: 90°
• β: 96.198 ± 0.002°
• γ: 90°
• Cell volume: 2034.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1029
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No