Information card for entry 2208939

Structure parameters

• Chemical name: 2,6-Bis(4-methoxybenzylidene)cyclohexanone
• Formula: C22 H22 O3
• Calculated formula: C22 H22 O3
• SMILES: O=C1/C(=C/c2ccc(OC)cc2)CCC\C1=C/c1ccc(OC)cc1
• Title of publication: 2,6-Bis(4-methoxybenzylidene)cyclohexanone
• Authors of publication: Ray J. Butcher; Yathirajan, H. S.; Sarojini, B. K.; Narayana, B.; Indira, J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o1910 - o1912
• a: 8.8748 ± 0.0017 Å
• b: 9.3854 ± 0.0018 Å
• c: 20.698 ± 0.004 Å
• α: 90°
• β: 100.074 ± 0.003°
• γ: 90°
• Cell volume: 1697.4 ± 0.6 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0552
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes