Information card for entry 1546076

Structure parameters

• Formula: C24 H25 N O5
• Calculated formula: C24 H25 N O5
• SMILES: O1C([C@@]2(N(C1=O)c1ccccc1)CC=C(OC(=O)C)[C@H]2c1ccc(OC)cc1)(C)C.O1C([C@]2(N(C1=O)c1ccccc1)CC=C(OC(=O)C)[C@@H]2c1ccc(OC)cc1)(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: 7.5258 ± 0.0004 Å
• b: 11.7781 ± 0.0005 Å
• c: 12.4974 ± 0.0006 Å
• α: 80.639 ± 0.004°
• β: 77.851 ± 0.004°
• γ: 78.666 ± 0.004°
• Cell volume: 1053.3 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0576
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No