Information card for entry 2231576

Structure parameters

• Chemical name: <i>N</i>-(2,6-Difluorobenzoyl)-<i>P</i>,<i>P</i>-bis(pyrrolidin-1-yl)phosphinic amide
• Formula: C15 H20 F2 N3 O2 P
• Calculated formula: C15 H20 F2 N3 O2 P
• Title of publication: <i>N</i>-(2,6-Difluorobenzoyl)-<i>P</i>,<i>P</i>-bis(pyrrolidin-1-yl)phosphinic amide
• Authors of publication: Pourayoubi, Mehrdad; Tarahhomi, Atekeh; Rheingold, Arnold L.; Golen, James A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2444
• a: 10.286 ± 0.003 Å
• b: 14.873 ± 0.004 Å
• c: 10.917 ± 0.003 Å
• α: 90°
• β: 99.296 ± 0.003°
• γ: 90°
• Cell volume: 1648.2 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes