Information card for entry 1566405

Structure parameters

• Formula: C38 H34 O8
• Calculated formula: C38 H34 O8
• SMILES: O=C(OC)C(C(=O)OC)[C@H](C(=O)c1ccc(OC)cc1)/C(=C/C=C/C(=O)OC(c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Phosphine-catalyzed divergent domino processes between γ-substituted allenoates and carbonyl-activated alkenes
• Authors of publication: Wu, Mingyue; Han, Zhaobin; Ni, Huanzhen; Wang, Nengzhong; Ding, Kuiling; Lu, Yixin
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 15.0488 ± 0.0007 Å
• b: 25.2228 ± 0.0012 Å
• c: 8.6864 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3297.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No