Information card for entry 1546441

Structure parameters

• Formula: C20 H32 N3 O6 P
• Calculated formula: C20 H32 N3 O6 P
• SMILES: P(=O)(N1[C@@H]2C[C@H](O)C=C[C@]2(c2cc3OCOc3cc2C1)CCO)(N(C)C)N(C)C.O
• Title of publication: Efficient Syntheses of (-)-Crinine and (-)-Aspidospermidine, and Formal Synthesis of (-)-Minfiensine by Enantioselective Intramolecular Dearomative Cyclization
• Authors of publication: Tang, Wenjun; Du, Kang; Yang, He; Guo, Pan; Feng, Liang; Xu, Guangqing; Zhou, Qing-Hai; Chung, Lung Wa
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 11.8092 ± 0.0004 Å
• b: 22.5105 ± 0.0007 Å
• c: 8.1573 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2168.46 ± 0.13 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No