Information card for entry 7128514

Structure parameters

• Formula: C15 H15 N O4 S2
• Calculated formula: C15 H15 N O4 S2
• SMILES: s1cccc1C(=O)N(C(=O)CS(=O)(=O)c1ccc(cc1)C)C
• Title of publication: Photo-induced synthesis of β-sulfonyl imides from carboxylic acids.
• Authors of publication: Zeng, Linwei; Jin, Jian; He, Jixiao; Cui, Sunliang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 55
• Pages of publication: 6792 - 6795
• a: 17.0004 ± 0.0004 Å
• b: 11.7535 ± 0.0003 Å
• c: 7.8717 ± 0.0002 Å
• α: 90°
• β: 102.624 ± 0.001°
• γ: 90°
• Cell volume: 1534.85 ± 0.07 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No