Information card for entry 1517977

Structure parameters

• Formula: C23 H31 N O5 S
• Calculated formula: C23 H31 N O5 S
• SMILES: S(=O)(=O)(N1C[C@H]2C[C@]34[C@H](O)C[C@H](C)C[C@H]3CC(=O)[C@@H]4[C@@]2(O)CC1)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: 7.3932 ± 0.0007 Å
• b: 10.0902 ± 0.0009 Å
• c: 28.435 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2121.2 ± 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: 0.0383
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No