Information card for entry 1546077

Structure parameters

• Formula: C24 H22 Br N O5
• Calculated formula: C24 H22 Br N O5
• SMILES: Brc1c([C@@H]2C(=CC[C@]32N(C(=O)CC3)Cc2ccccc2)OC(=O)C)cc2OCOc2c1.Brc1c([C@H]2C(=CC[C@@]32N(C(=O)CC3)Cc2ccccc2)OC(=O)C)cc2OCOc2c1
• 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: 10.1412 ± 0.0016 Å
• b: 18.601 ± 0.004 Å
• c: 11.3292 ± 0.0016 Å
• α: 90°
• β: 91.857 ± 0.014°
• γ: 90°
• Cell volume: 2136 ± 0.6 ų
• Cell temperature: 292.11 ± 0.1 K
• Ambient diffraction temperature: 292.11 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1809
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.1765
• Weighted residual factors for all reflections included in the refinement: 0.2735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No