Information card for entry 7129668

Structure parameters

• Formula: C22 H23 N O3
• Calculated formula: C22 H23 N O3
• Title of publication: TEMPO-mediated late stage photochemical hydroxylation of biaryl sulfonium salts
• Authors of publication: Zhao, Yue; Yu, Congjun; Liang, Wenjing; Atodiresei, Iuliana L.; Patureau, Frederic W.
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 8.2069 ± 0.0003 Å
• b: 26.81 ± 0.0011 Å
• c: 8.7494 ± 0.0004 Å
• α: 90°
• β: 105.943 ± 0.002°
• γ: 90°
• Cell volume: 1851.06 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.082
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No