Information card for entry 2236546

Structure parameters

• Common name: (2,4-Difluorobenzoyl)[bis(pyrrolidin-1-yl)phosphoryl]amine
• Chemical name: Bis(pyrrolidin-1-yl)phosphinic (2,4-difluorobenzoyl)amide
• Formula: C15 H20 F2 N3 O2 P
• Calculated formula: C15 H20 F2 N3 O2 P
• Title of publication: Bis(pyrrolidin-1-yl)phosphinic (2,4-difluorobenzoyl)amide
• Authors of publication: Keikha, Mojtaba; Pourayoubi, Mehrdad; Jasinski, Jerry P.; Golen, James A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2688
• a: 9.1028 ± 0.0003 Å
• b: 9.9477 ± 0.0002 Å
• c: 18.5465 ± 0.0005 Å
• α: 90°
• β: 92.268 ± 0.003°
• γ: 90°
• Cell volume: 1678.11 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.045
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes