Information card for entry 1508646

Structure parameters

• Formula: C19 H27 N O5 S
• Calculated formula: C19 H27 N O5 S
• SMILES: S=C1N2[C@H]([C@@H]3OC(=O)[C@H](C)C3)CC[C@H]2[C@]2(OC(=O)[C@H](C2)C)[C@H](OC)CC1
• Title of publication: Flexible approach to stemona alkaloids: total syntheses of (-)-stemospironine and three new diastereoisomeric analogs.
• Authors of publication: Bardají, Nuria; Sánchez-Izquierdo, Francisco; Alibés, Ramón; Font, Josep; Busqué, Félix; Figueredo, Marta
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 18
• Pages of publication: 4854 - 4857
• a: 5.927 ± 0.005 Å
• b: 12.535 ± 0.005 Å
• c: 24.978 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1855.7 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1175
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.1581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.7379 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No