Information card for entry 7158892

Structure parameters

• Common name: Organic
• Formula: C26 H22 I N O4 S
• Calculated formula: C26 H22 I N O4 S
• SMILES: I/C(=C\1C(=O)N(c2ccccc2)C(=O)C1(C)CS(=O)(=O)c1ccc(cc1)C)c1ccccc1
• Title of publication: Iodo-Sulphonylation of 1,6-Enynones: A Metal-Free Strategy to Synthesize N-Substituted Succinimides
• Authors of publication: Sivanantham, Mathiyazhagan; Jennifer G, Abigail; Varathan, E.; Ramasamy, Mohankumar; Senadi, Gopal Chandru
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 11.8903 ± 0.0006 Å
• b: 15.0921 ± 0.0007 Å
• c: 14.6135 ± 0.0007 Å
• α: 90°
• β: 113.651 ± 0.001°
• γ: 90°
• Cell volume: 2402.1 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.051
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No