Information card for entry 1546073

Structure parameters

• Formula: C24 H23 N O6
• Calculated formula: C24 H23 N O6
• SMILES: O=C1N([C@@]2(CC=C(OC(=O)C)[C@H]2c2ccc3OCOc3c2)CC1)c1ccc(OC)cc1.O=C1N([C@]2(CC=C(OC(=O)C)[C@@H]2c2ccc3OCOc3c2)CC1)c1ccc(OC)cc1
• Title of publication: Au-Catalyzed [2 + 3] Annulation of Enamides with Propargyl Esters: Total Synthesis of Cephalotaxine and Cephalezomine H.
• Authors of publication: Ma, Xiao-Yan; An, Xian-Tao; Zhao, Xian-He; Du, Ji-Yuan; Deng, Yu-Hua; Zhang, Xiang-Zhi; Fan, Chun-An
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 11
• Pages of publication: 2965 - 2968
• a: 9.6711 ± 0.0006 Å
• b: 19.4443 ± 0.0014 Å
• c: 11.2024 ± 0.0007 Å
• α: 90°
• β: 95.091 ± 0.006°
• γ: 90°
• Cell volume: 2098.3 ± 0.2 ų
• Cell temperature: 292.13 ± 0.1 K
• Ambient diffraction temperature: 292.13 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.204
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.1386
• Weighted residual factors for all reflections included in the refinement: 0.1956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No