Information card for entry 1566404

Structure parameters

• Formula: C37 H31 F O5
• Calculated formula: C37 H31 F O5
• SMILES: O1[C@]2(OC(=C([C@H]2[C@H]([C@@H]1/C=C/C(=O)OC(c1ccccc1)c1ccccc1)c1ccc(F)cc1)C(=O)C)C)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: 10.9625 ± 0.0016 Å
• b: 9.5991 ± 0.0014 Å
• c: 14.075 ± 0.002 Å
• α: 90°
• β: 97.804 ± 0.004°
• γ: 90°
• Cell volume: 1467.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No