Information card for entry 1503432

Structure parameters

• Formula: C20 H20 O4
• Calculated formula: C20 H20 O4
• SMILES: O(C(=O)C(=C\c1ccccc1)\C=C\c1c(O)ccc(OC)c1)CC
• Title of publication: Wittig olefination between phosphine, aldehyde, and allylic carbonate: a general method for stereoselective synthesis of trisubstituted 1,3-dienes with highly variable substituents.
• Authors of publication: Zhou, Rong; Wang, Chunzhang; Song, Haibin; He, Zhengjie
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 976 - 979
• a: 15.257 ± 0.003 Å
• b: 7.3998 ± 0.0015 Å
• c: 15.245 ± 0.003 Å
• α: 90°
• β: 91.42 ± 0.03°
• γ: 90°
• Cell volume: 1720.6 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0789
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No