Information card for entry 4129402

Structure parameters

• Formula: C19 H26 N2 O
• Calculated formula: C19 H26 N2 O
• SMILES: OCC[C@@]12CC[C@H]3Nc4c(cccc4)[C@]43[C@@H]1N(CCC2)CC4
• Title of publication: Asymmetric total synthesis of Apocynaceae hydrocarbazole alkaloids (+)-deethylibophyllidine and (+)-limaspermidine.
• Authors of publication: Du, Ji-Yuan; Zeng, Chao; Han, Xiao-Jie; Qu, Hu; Zhao, Xian-He; An, Xian-Tao; Fan, Chun-An
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 12
• Pages of publication: 4267 - 4273
• a: 7.62594 ± 0.00009 Å
• b: 13.76475 ± 0.00018 Å
• c: 15.17422 ± 0.00018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1592.83 ± 0.03 ų
• Cell temperature: 293.8 ± 0.2 K
• Ambient diffraction temperature: 293.8 ± 0.2 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: 0.0346
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No