Information card for entry 1547028

Structure parameters

• Formula: C22 H27 N O6
• Calculated formula: C22 H27 N O6
• SMILES: O1[C@@H]2C=C3c4c(c(OC)c(OC)cc4CC[C@H](NC(=O)C)[C@]13C=C[C@H]2OC)OC
• Title of publication: Asymmetric Total Syntheses of Colchicine, β-Lumicolchicine, and Allocolchicinoid N-Acetylcolchinol-O-methyl Ether (NCME).
• Authors of publication: Liu, Xin; Hu, Ya-Jian; Chen, Bo; Min, Long; Peng, Xiao-Shui; Zhao, Jing; Li, Shaoping; Wong, Henry N. C.; Li, Chuang-Chuang
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 17
• Pages of publication: 4612 - 4615
• a: 7.467 ± 0.003 Å
• b: 9.477 ± 0.005 Å
• c: 14.485 ± 0.005 Å
• α: 90°
• β: 97.593 ± 0.008°
• γ: 90°
• Cell volume: 1016 ± 0.8 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0931
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1877
• Weighted residual factors for all reflections included in the refinement: 0.2555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No