Information card for entry 4130133

Structure parameters

• Formula: C18 H19 N O2
• Calculated formula: C18 H19 N O2
• SMILES: O=C1n2c3c(cccc3)c(c2[C@H]2[C@H]([C@@H]1[C@H](OC2)C)C=C)C
• Title of publication: Enantioselective Total Synthesis of (-)-Alstoscholarisine A.
• Authors of publication: Liang, Xiao; Jiang, Shi-Zhi; Wei, Kun; Yang, Yu-Rong
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 8
• Pages of publication: 2560 - 2562
• a: 7.8819 ± 0.0008 Å
• b: 12.8093 ± 0.0013 Å
• c: 14.6769 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1481.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No