Information card for entry 1517978

Structure parameters

• Formula: C23 H31 N O4 S
• Calculated formula: C23 H31 N O4 S
• SMILES: S(=O)(=O)(N1CC(=CCC1)C[C@@]12[C@H](CC(=O)C2)C[C@@H](C)C[C@H]1O)c1ccc(C)cc1
• Title of publication: Collective total synthesis of tetracyclic diquinane lycopodium alkaloids (+)-paniculatine, (-)-magellanine, (+)-magellaninone and analogues thereof.
• Authors of publication: Jiang, Shi-Zhi; Lei, Ting; Wei, Kun; Yang, Yu-Rong
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 21
• Pages of publication: 5612 - 5615
• a: 6.6647 ± 0.0007 Å
• b: 8.0882 ± 0.0008 Å
• c: 40.025 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2157.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0403
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No