Information card for entry 2216137

Structure parameters

• Chemical name: 2,6-Bis(3,4-dimethoxybenzylidene)-4-ethylcyclohexanone
• Formula: C26 H30 O5
• Calculated formula: C26 H30 O5
• SMILES: O(c1c(OC)cc(/C=C2/C(=O)/C(=C/c3cc(OC)c(OC)cc3)CC(CC)C2)cc1)C
• Title of publication: 2,6-Bis(3,4-dimethoxybenzylidene)-4-ethylcyclohexanone
• Authors of publication: Rajeev Mudakavi; Brinda; M. Srinivas Murthy; Deepak Chopra; T. N. Guru Row
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4432 - o4432
• a: 10.3766 ± 0.001 Å
• b: 8.6973 ± 0.0009 Å
• c: 24.555 ± 0.003 Å
• α: 90°
• β: 93.5 ± 0.002°
• γ: 90°
• Cell volume: 2211.9 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1293
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1548
• Weighted residual factors for all reflections included in the refinement: 0.1823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes