Information card for entry 1517976

Structure parameters

• Formula: C29 H45 N O4 S Si
• Calculated formula: C29 H45 N O4 S Si
• SMILES: S(=O)(=O)(N1C[C@H]2C[C@]34[C@H](O[Si](C(C)(C)C)(C)C)C[C@@H](C[C@H]3CC(=O)[C@@H]4[C@H]2CC1)C)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: 11.1288 ± 0.0011 Å
• b: 20.891 ± 0.002 Å
• c: 13.4526 ± 0.0013 Å
• α: 90°
• β: 111.287 ± 0.001°
• γ: 90°
• Cell volume: 2914.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No