Information card for entry 1501892

Structure parameters

• Formula: C25 H36 N2 O3 S Si
• Calculated formula: C25 H36 N2 O3 S Si
• SMILES: S([C@H]1CN2[C@@H]3[C@@](O[Si](C)(C)C)([C@@H]([C@H]([C@H]4Nc5c([C@@]134)cccc5)C(=O)OC)CC2)CC)CC.S([C@@H]1CN2[C@H]3[C@](O[Si](C)(C)C)([C@H]([C@@H]([C@@H]4Nc5c([C@]134)cccc5)C(=O)OC)CC2)CC)CC
• Title of publication: Total synthesis of (+)-condylocarpine, (+)-isocondylocarpine, and (+)-tubotaiwine.
• Authors of publication: Martin, Connor L.; Nakamura, Seiichi; Otte, Ralf; Overman, Larry E.
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 138 - 141
• a: 10.2168 ± 0.0005 Å
• b: 15.2722 ± 0.0007 Å
• c: 16.1196 ± 0.0007 Å
• α: 90°
• β: 100.054 ± 0.0006°
• γ: 90°
• Cell volume: 2476.6 ± 0.2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• 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: 0.0414
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No