Information card for entry 7122884

Structure parameters

• Formula: C14 H19 N O2 S
• Calculated formula: C14 H19 N O2 S
• Title of publication: Substituted Hantzsch esters as radical reservoirs with the insertion of sulfur dioxide under photoredox catalysis
• Authors of publication: Wang, Xuefeng; Li, Haozhe; Qiu, Guanyinsheng; Wu, Jie
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 10.3607 ± 0.0004 Å
• b: 17.7044 ± 0.0007 Å
• c: 15.4415 ± 0.0007 Å
• α: 90°
• β: 100.79 ± 0.002°
• γ: 90°
• Cell volume: 2782.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1692
• Weighted residual factors for all reflections included in the refinement: 0.1782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No