Information card for entry 1546238

Structure parameters

• Formula: C17 H19 N O5
• Calculated formula: C17 H19 N O5
• SMILES: O=C1N2[C@]3([C@@H](c4c(C1)cc1OCOc1c4)[C@@H](O)[C@@H](O)C3)CCC2.O=C1N2[C@@]3([C@H](c4c(C1)cc1OCOc1c4)[C@H](O)[C@H](O)C3)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: 8.1791 ± 0.0006 Å
• b: 8.4632 ± 0.0004 Å
• c: 11.3125 ± 0.0009 Å
• α: 70.672 ± 0.006°
• β: 84.194 ± 0.007°
• γ: 80.842 ± 0.005°
• Cell volume: 728.52 ± 0.09 ų
• Cell temperature: 292.5 ± 0.2 K
• Ambient diffraction temperature: 292.5 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No