Information card for entry 7120677

Structure parameters

• Formula: C17 H27 N3 O3 S
• Calculated formula: C17 H27 N3 O3 S
• SMILES: S(=O)(=O)(/N=C(NC(C)(C)C)/C(=O)NC(C)(C)C)c1ccc(cc1)C
• Title of publication: Cobalt(II)-Catalyzed Bis-isocyanides Insertion Reactions with Sulfonyl Azides via Nitrene Radical: Chemoselective Synthesis of The Sulfonylamidyl amide and 3-Imine Indole Derivatives
• Authors of publication: Gu, Zheng-Yang; Li, Jing-Hao; Wang, Shun-Yi; Ji, Shun-Jun
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 11.655 ± 0.0006 Å
• b: 11.2975 ± 0.0007 Å
• c: 29.9934 ± 0.0014 Å
• α: 90°
• β: 92.006 ± 0.005°
• γ: 90°
• Cell volume: 3946.9 ± 0.4 ų
• Cell temperature: 284.94 ± 0.1 K
• Ambient diffraction temperature: 284.94 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1078
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1558
• Weighted residual factors for all reflections included in the refinement: 0.2029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No