Information card for entry 7125625

Structure parameters

• Formula: C15 H15 Cl N O P
• Calculated formula: C15 H15 Cl N O P
• Title of publication: Convenient synthesis of phosphinecarboxamide and phosphinecarbothioamide by hydrophosphination of isocyanates and isothiocyanates.
• Authors of publication: Itazaki, Masumi; Matsutani, Takanari; Nochida, Tomoya; Moriuchi, Toshiyuki; Nakazawa, Hiroshi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 443 - 445
• a: 9.2947 ± 0.0001 Å
• b: 11.819 ± 0.0002 Å
• c: 14.46 ± 0.0006 Å
• α: 85.569 ± 0.006°
• β: 82.125 ± 0.007°
• γ: 67.021 ± 0.006°
• Cell volume: 1448.16 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No