Information card for entry 4129403

Structure parameters

• Formula: C16 H16 N2 O2
• Calculated formula: C16 H16 N2 O2
• SMILES: O=C1[C@@H]2[C@H]3N(C(=O)C[C@]43[C@H](Nc3ccccc43)C1)CC2
• 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: 8.13784 ± 0.00015 Å
• b: 10.2608 ± 0.0002 Å
• c: 15.6066 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1303.16 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0355
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No