Information card for entry 1546074

Structure parameters

• Formula: C24 H25 N O4
• Calculated formula: C24 H25 N O4
• SMILES: O=C1OC([C@@]2(N1Cc1ccccc1)CC=C(OC(=O)C)[C@@H]2c1ccccc1)(C)C.O=C1OC([C@]2(N1Cc1ccccc1)CC=C(OC(=O)C)[C@H]2c1ccccc1)(C)C
• 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: 25.91 ± 0.02 Å
• b: 11.234 ± 0.009 Å
• c: 17.776 ± 0.014 Å
• α: 90°
• β: 126.13 ± 0.007°
• γ: 90°
• Cell volume: 4179 ± 6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0953
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No