Information card for entry 1546442

Structure parameters

• Formula: C23 H35 N4 O4 P
• Calculated formula: C23 H35 N4 O4 P
• SMILES: P(=O)(N1c2ccccc2[C@]2(C1=CC(=O)CC2)CCNC(=O)OC(C)(C)C)(N(C)C)N(C)C
• 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: 11.632 ± 0.002 Å
• b: 10.796 ± 0.002 Å
• c: 20.144 ± 0.004 Å
• α: 90°
• β: 92.25 ± 0.03°
• γ: 90°
• Cell volume: 2527.7 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No