Information card for entry 4038671

Structure parameters

• Formula: C26 H22 N O2 P
• Calculated formula: C26 H22 N O2 P
• Title of publication: Evaluation and Development of Methodologies for the Synthesis of Thiophosphinic Acids
• Authors of publication: Winters, Karen R.; Montchamp, Jean-Luc
• Journal of publication: The Journal of Organic Chemistry
• Year of publication: 2020
• a: 5.0456 ± 0.0004 Å
• b: 10.0717 ± 0.0008 Å
• c: 20.3776 ± 0.0017 Å
• α: 96.509 ± 0.004°
• β: 95.256 ± 0.004°
• γ: 90.126 ± 0.004°
• Cell volume: 1024.46 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 99.98 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1388
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.194
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No