Information card for entry 4037750

Structure parameters

• Formula: C20 H26 N2 O2
• Calculated formula: C20 H26 N2 O2
• SMILES: O(C)c1cccc2c1N[C@@H]1[C@]32[C@H]2N(CC[C@@H]4OCC[C@]24CC1)CC3.O(C)c1cccc2c1N[C@H]1[C@@]32[C@@H]2N(CC[C@H]4OCC[C@@]24CC1)CC3
• Title of publication: Total Syntheses of (-)-Deoxoapodine, (-)-Kopsifoline D, and (-)-Beninine.
• Authors of publication: Zhou, Yi-Guo; Wong, Henry N. C.; Peng, Xiao-Shui
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• a: 8.5202 ± 0.0004 Å
• b: 11.2279 ± 0.0006 Å
• c: 17.8067 ± 0.0008 Å
• α: 90°
• β: 102.046 ± 0.0013°
• γ: 90°
• Cell volume: 1665.95 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No