Information card for entry 2237279

Structure parameters

• Chemical name: <i>P</i>,<i>P</i>-Bis[4-(dimethylamino)phenyl]-<i>N</i>,<i>N</i>- bis(propan-2-yl)phosphinic amide
• Formula: C22 H34 N3 O P
• Calculated formula: C22 H34 N3 O P
• SMILES: c1(ccc(cc1)N(C)C)P(=O)(c1ccc(cc1)N(C)C)N(C(C)C)C(C)C
• Title of publication: <i>P</i>,<i>P</i>-Bis[4-(dimethylamino)phenyl]-<i>N</i>,<i>N</i>-bis(propan-2-yl)phosphinic amide
• Authors of publication: Evans, Stephen J.; Renison, C. Alicia; Williams, D. Bradley G.; Muller, Alfred
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o195
• a: 6.296 ± 0.0004 Å
• b: 16.6389 ± 0.0008 Å
• c: 19.9475 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2089.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0832
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes