Information card for entry 1550525

Structure parameters

• Formula: C17 H21 N O3 S
• Calculated formula: C17 H21 N O3 S
• SMILES: S(=O)(=O)(N1C(=O)C[C@H](C[C@@H]1C=C)C1CC1)c1ccc(cc1)C
• Title of publication: Transition Metal Catalyzed Stereodivergent Synthesis of syn- and anti-δ-Vinyl-Lactams: Formal Total Synthesis of (−)-Cermizine C and (−)-Senepodine G
• Authors of publication: Breit, Bernhard; Schmidt, Johannes
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 5.8911 ± 0.0001 Å
• b: 12.299 ± 0.0003 Å
• c: 22.4992 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1630.17 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.042
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No