Information card for entry 1553233

Structure parameters

• Formula: C13 H14 Br N O3 S
• Calculated formula: C13 H14 Br N O3 S
• Title of publication: Visible-light promoted intermolecular halofunctionalization of alkenes with N-halogen saccharins
• Authors of publication: Song, Lu; Luo, Sanzhong; Cheng, Jin-Pei
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 4
• Pages of publication: 447
• a: 20.218 ± 0.004 Å
• b: 9.2121 ± 0.0019 Å
• c: 15.306 ± 0.003 Å
• α: 90°
• β: 95.315 ± 0.004°
• γ: 90°
• Cell volume: 2838.5 ± 1 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• 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: 0.0444
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No