Information card for entry 2212987

Structure parameters

• Chemical name: 2,6-Bis(3,4,5-trimethoxybenzylidene)cyclohexanone
• Formula: C26 H30 O7
• Calculated formula: C26 H30 O7
• SMILES: O=C1/C(=C/c2cc(OC)c(OC)c(OC)c2)CCC/C1=C\c1cc(OC)c(OC)c(OC)c1
• Title of publication: 2,6-Bis(3,4,5-trimethoxybenzylidene)cyclohexanone
• Authors of publication: Yi-Feng Sun; Yi-Ping Cui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1932 - o1933
• a: 11.3533 ± 0.0004 Å
• b: 13.5581 ± 0.0005 Å
• c: 15.0519 ± 0.0005 Å
• α: 90°
• β: 93.414 ± 0.001°
• γ: 90°
• Cell volume: 2312.81 ± 0.14 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0445
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.728
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes