Information card for entry 7245396

Structure parameters

• Formula: C15 H13 F O3 S
• Calculated formula: C15 H13 F O3 S
• Title of publication: Visible-light-mediated synthesis of β-keto sulfones using g-C3N4 as a recyclable photocatalyst under sustainable conditions
• Authors of publication: Dam, Binoyargha; Sahoo, Ashish Kumar; Patel, Bhisma K.
• Journal of publication: Green Chemistry
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 18
• Pages of publication: 7122 - 7130
• a: 5.6822 ± 0.0004 Å
• b: 9.1526 ± 0.0006 Å
• c: 14.0751 ± 0.001 Å
• α: 108.654 ± 0.002°
• β: 100.575 ± 0.002°
• γ: 91.47 ± 0.002°
• Cell volume: 678.97 ± 0.08 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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: 0.1331
• Residual factor for significantly intense reflections: 0.1031
• Weighted residual factors for significantly intense reflections: 0.233
• Weighted residual factors for all reflections included in the refinement: 0.2627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.224
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No