Information card for entry 4112075

Structure parameters

• Formula: C19 H30 N O3
• Calculated formula: C16 H23 N O3
• SMILES: N12C(=O)CCC[C@@H]3[C@H]([C@@H]4OC(=O)C[C@@H]4[C@@H](CC1)[C@H]23)CC.N12C(=O)CCC[C@H]3[C@@H]([C@H]4OC(=O)C[C@H]4[C@H](CC1)[C@@H]23)CC
• Title of publication: An Expeditious Total Synthesis of (\±)-Stenine
• Authors of publication: Yibin Zeng; Jeffrey Aubé
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 15712 - 15713
• a: 8.101 ± 0.004 Å
• b: 23.939 ± 0.012 Å
• c: 7.943 ± 0.004 Å
• α: 90°
• β: 103.897 ± 0.01°
• γ: 90°
• Cell volume: 1495.3 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1136
• Residual factor for significantly intense reflections: 0.0999
• Weighted residual factors for significantly intense reflections: 0.2498
• Weighted residual factors for all reflections included in the refinement: 0.2569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No