Information card for entry 7248360

Structure parameters

• Formula: C19 H18 N O3 P S
• Calculated formula: C19 H18 N O3 P S
• Title of publication: Inorganic ligand-supported Mo oxide as a hydrogen atom transfer photocatalyst for direct C(sp2)−H phosphorylation
• Authors of publication: Jiang, Zeqi; Jiang, Shuangfei; Gao, Jin; Xia, Junmei; Yu, Hongwei; Ma, Lixin; Chen, Xi; Chen, Bo; Zhang, Xinghua; Zhu, Wenchao
• Journal of publication: Green Chemistry
• Year of publication: 2024
• a: 17.3863 ± 0.0007 Å
• b: 8.7024 ± 0.0003 Å
• c: 12.251 ± 0.0005 Å
• α: 90°
• β: 102.256 ± 0.002°
• γ: 90°
• Cell volume: 1811.36 ± 0.12 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.042
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No