Information card for entry 7123259

Structure parameters

• Formula: C19 H17 O P S
• Calculated formula: C19 H17 O P S
• Title of publication: Scalable, Electrochemical Dehydrogenative Cross-Coupling of P(O)H Compounds with RSH/ROH
• Authors of publication: Zheng, Ke; Li, Yujun; Yang, Qi; Yang, Liquan; Lei, Ning
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 8.5391 ± 0.0004 Å
• b: 11.0667 ± 0.0005 Å
• c: 16.9456 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1601.35 ± 0.13 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No