Information card for entry 7027501

Structure parameters

• Common name: HMPA
• Chemical name: Tris(dimethylamino)oxophosphorane
• Formula: C6 H18 N3 O P
• Calculated formula: C6 H18 N3 O P
• SMILES: CN(P(=O)(N(C)C)N(C)C)C
• Title of publication: The molecular and crystal structures of the tris(dimethylamino)phosphoranes (Me2N)3P‒X (X = BH3, CH2, NH or O)
• Authors of publication: Mitzel, Norbert W.; Lustig, Christian
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 18
• Pages of publication: 3177
• a: 6.398 ± 0.001 Å
• b: 12.57 ± 0.003 Å
• c: 6.428 ± 0.001 Å
• α: 90°
• β: 104.19 ± 0.03°
• γ: 90°
• Cell volume: 501.18 ± 0.18 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for all reflections: 0.1162
• Weighted residual factors for significantly intense reflections: 0.1063
• Goodness-of-fit parameter for all reflections: 1.045
• Goodness-of-fit parameter for significantly intense reflections: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No