Information card for entry 4127682

Structure parameters

• Formula: C43 H37 N O4
• Calculated formula: C43 H37 N O4
• SMILES: O1[C@]23C(=O)N(Cc4ccccc4)C[C@H]2[C@@H]([C@H]([C@@H]3C=C1C(=O)OC(c1ccccc1)c1ccccc1)c1ccccc1)c1c(cccc1)C
• Title of publication: Cyclohexyl-Fused, Spirobiindane-Derived, Phosphine-Catalyzed Synthesis of Tricyclic γ-Lactams and Kinetic Resolution of γ-Substituted Allenoates.
• Authors of publication: Wu, Mingyue; Han, Zhaobin; Li, Kaizhi; Wu, Ji'en; Ding, Kuiling; Lu, Yixin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 41
• Pages of publication: 16362 - 16373
• a: 9.4855 ± 0.0013 Å
• b: 13.9062 ± 0.0019 Å
• c: 24.919 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3287 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0253
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No