Information card for entry 7245840

Structure parameters

• Formula: C18 H15 O P S
• Calculated formula: C18 H15 O P S
• SMILES: P(=O)(Sc1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Bromide ion promoted practical synthesis of phosphinothioates of sulfinic acid derivatives and H-phosphine oxides
• Authors of publication: Li, Haoyuan; Yan, Wenjie; Ren, Peipei; Hu, Huimin; Sun, Runbo; Liu, Meixia; Fu, Zhengjiang; Guo, Shengmei; Cai, Hu
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 50
• Pages of publication: 32350 - 32354
• a: 6.19 ± 0.002 Å
• b: 8.426 ± 0.003 Å
• c: 16.517 ± 0.005 Å
• α: 100.248 ± 0.005°
• β: 96.034 ± 0.005°
• γ: 108.478 ± 0.005°
• Cell volume: 791.9 ± 0.5 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.0581
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No