Information card for entry 7131276

Structure parameters

• Formula: C15 H13 N O3 S
• Calculated formula: C15 H13 N O3 S
• SMILES: S(=O)(=NC(=O)C(=O)c1ccccc1)(c1ccccc1)C
• Title of publication: NIS-initiated photo-induced oxidative decarboxylative sulfoximidation of cinnamic acids.
• Authors of publication: Chakraborty, Nikita; Rajbongshi, Kamal K.; Dahiya, Anjali; Das, Bubul; Vaishnani, Akshar; Patel, Bhisma K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 19
• Pages of publication: 2779 - 2782
• a: 13.0303 ± 0.0007 Å
• b: 43.234 ± 0.003 Å
• c: 10.2922 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5798.1 ± 0.6 ų
• Cell temperature: 324 ± 2 K
• Ambient diffraction temperature: 324 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No