Information card for entry 7203438

Structure parameters

• Common name: (E,E)-2-(4-Ethoxy-3-methoxybenzylidene)-6-(4- methoxybenzylidene)cyclohexanone
• Chemical name: (E,E)-2-(4-Ethoxy-3-methoxybenzylidene)-6-(4-methoxybenzylidene)cyclohexanone
• Formula: C24 H26 O4
• Calculated formula: C24 H26 O4
• SMILES: COc1ccc(cc1)/C=C1\CCC/C(=C\c2ccc(c(c2)OC)OCC)C1=O
• Title of publication: A direct, efficient synthesis of unsymmetrically substituted bis(arylidene)alkanones
• Authors of publication: Rosamilia, Anthony E.; Giarrusso, Marilena A.; Scott, Janet L.; Strauss, Christopher R.
• Journal of publication: Green Chemistry
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 12
• Pages of publication: 1042
• a: 11.219 ± 0.0003 Å
• b: 12.8515 ± 0.0003 Å
• c: 14.1651 ± 0.0004 Å
• α: 82.272 ± 0.001°
• β: 88.467 ± 0.001°
• γ: 75.715 ± 0.001°
• Cell volume: 1961.17 ± 0.09 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No