Information card for entry 7128515

Structure parameters

• Formula: C22 H22 N2 O7 S
• Calculated formula: C22 H22 N2 O7 S
• SMILES: S(=O)(=O)(CC(=O)N(C(=O)C(ON1C(=O)c2ccccc2C1=O)(C)C)C)c1ccc(cc1)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: 7.266 ± 0.003 Å
• b: 11.193 ± 0.004 Å
• c: 14.501 ± 0.005 Å
• α: 70.164 ± 0.013°
• β: 79.38 ± 0.016°
• γ: 81.797 ± 0.018°
• Cell volume: 1086.3 ± 0.7 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0909
• 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