Information card for entry 8000183

Structure parameters

• Formula: C16 H16 N2 O4 S
• Calculated formula: C16 H16 N2 O4 S
• SMILES: S(=O)(=O)(N[C@H](C(=C)C)c1ccccc1)c1ccc(N(=O)=O)cc1
• Title of publication: Rhodium-catalyzed Addition of Organo[2-(hydroxymethyl)phenyl]dimethylsilanes to Arenesulfonylimines
• Authors of publication: Nakao, Yoshiaki; Takeda, Masahide; Chen, Jinshui; Hiyama, Tamejiro; Ichikawa, Yoshitaka; Shintani, Ryo; Hayashi, Tamio
• Journal of publication: Chemistry Letters
• Year of publication: 2008
• Journal volume: 37
• Journal issue: 3
• Pages of publication: 290
• a: 6.882 ± 0.006 Å
• b: 10.123 ± 0.006 Å
• c: 22.22 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1548 ± 3 ų
• Cell temperature: 123.1 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: 0.0435
• Weighted residual factors for all reflections included in the refinement: 0.0486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No