Information card for entry 7120211

Structure parameters

• Formula: C17 H17 N O4 S
• Calculated formula: C17 H17 N O4 S
• SMILES: S(=O)(=O)(N1C(=O)C(=C)[C@H]2CC(=O)C=C[C@@]12C)c1ccc(cc1)C
• Title of publication: Multifunctional Catalysis: Stereoselective Construction of α-Methylidene-γ-Lactams via Amidation/Rauhut–Currier Sequence
• Authors of publication: Kishi, Kenta; Arteaga, Fernando Arteaga; Takizawa, Shinobu; Sasai, Hiroaki
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 9.5909 ± 0.0018 Å
• b: 12.641 ± 0.003 Å
• c: 13.035 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1580.3 ± 0.6 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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 significantly intense reflections: 0.0388
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No