Information card for entry 7202028

Structure parameters

• Common name: (E,E)-2-(3-formylbenzylidene)-6-(4- methoxybenzylidene)cyclohexanone
• Chemical name: (E,E)-2-(3-formylbenzylidene)-6-(4-methoxybenzylidene)cyclohexanone
• Formula: C22 H20 O3
• Calculated formula: C22 H20 O3
• SMILES: O=C1C(=C\c2cc(ccc2)C=O)\CCC/C1=C\c1ccc(OC)cc1
• Title of publication: Platform technology for dienone and phenol‒formaldehyde architectures
• Authors of publication: Giarrusso, Marilena A.; Higham, Luke T.; Kreher, Ulf P.; Mohan, Ram S.; Rosamilia, Anthony E.; Scott, Janet L.; Strauss, Christopher R.
• Journal of publication: Green Chemistry
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 8
• Pages of publication: 842
• a: 16.0672 ± 0.0008 Å
• b: 14.9408 ± 0.0008 Å
• c: 7.1505 ± 0.0003 Å
• α: 90°
• β: 96.855 ± 0.002°
• γ: 90°
• Cell volume: 1704.26 ± 0.14 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0769
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No