Information card for entry 7202029

Structure parameters

• Common name: 3,3'-(1E,1'E)-(2-oxocyclohexane-1,3-diylidene)bis(methan-1-yl- 1-ylidene)-bis(2-methoxy-5-methylbenzaldehyde)
• Chemical name: 3,3'-(1E,1'E)-(2-oxocyclohexane-1,3-diylidene)bis(methan-1-yl-1-ylidene)- bis(2-methoxy-5-methylbenzaldehyde)
• Formula: C26 H26 O5
• Calculated formula: C26 H26 O5
• SMILES: O(c1c(cc(cc1C=O)C)/C=C\1C(=O)C(=C\c2cc(cc(c2OC)C=O)C)\CCC1)C
• 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: 11.446 ± 0.002 Å
• b: 15.395 ± 0.003 Å
• c: 12.411 ± 0.003 Å
• α: 90°
• β: 92.07 ± 0.03°
• γ: 90°
• Cell volume: 2185.5 ± 0.8 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0991
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No