Information card for entry 1546075

Structure parameters

• Formula: C19 H21 N O5
• Calculated formula: C19 H21 N O5
• SMILES: O=C1N2[C@]3([C@H](c4c(C1)cc1OCOc1c4)[C@H](OC(=O)C)CC3)CCC2.O=C1N2[C@@]3([C@@H](c4c(C1)cc1OCOc1c4)[C@@H](OC(=O)C)CC3)CCC2
• 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: 8.4092 ± 0.0011 Å
• b: 18.977 ± 0.002 Å
• c: 21.008 ± 0.003 Å
• α: 90°
• β: 92.133 ± 0.012°
• γ: 90°
• Cell volume: 3350.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.2311
• Residual factor for significantly intense reflections: 0.0995
• Weighted residual factors for significantly intense reflections: 0.2197
• Weighted residual factors for all reflections included in the refinement: 0.2904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No