Information card for entry 7160103

Structure parameters

• Formula: C18 H21 N O4 S
• Calculated formula: C18 H21 N O4 S
• Title of publication: Shining light for organophotocatalysed site-selective sulfonylation of anilides
• Authors of publication: Singh, Swati; Chakrabortty, Gopal; Tiwari, Kajal; Dagar, Neha; Raha Roy, Sudipta
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 37
• Pages of publication: 7690 - 7695
• a: 14.641 ± 0.003 Å
• b: 10.835 ± 0.002 Å
• c: 12.117 ± 0.002 Å
• α: 90°
• β: 107.599 ± 0.008°
• γ: 90°
• Cell volume: 1832.2 ± 0.6 ų
• Cell temperature: 303 ± 2 K
• Ambient diffraction temperature: 303 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: 0.0607
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No