Information card for entry 2018452

Structure parameters

• Common name: <i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-tetra-<i>tert</i>- butyloxybis(phosphonic diamide)
• Chemical name: ({[bis(tert-butylamino)phosphoryl]oxy}(<i>tert</i>- butylamino)phosphoryl)(<i>tert</i>-butyl)amine
• Formula: C16 H40 N4 O3 P2
• Calculated formula: C16 H40 N4 O3 P2
• SMILES: P(=O)(OP(=O)(NC(C)(C)C)NC(C)(C)C)(NC(C)(C)C)NC(C)(C)C
• Title of publication: Two new <i>X</i>P(O)[NHC(CH~3~)~3~]~2~ phosphoramidates, with <i>X</i> = (CH~3~)~2~N and [(CH~3~)~3~CNH]~2~P(O)(O)
• Authors of publication: Pourayoubi, Mehrdad; Tarahhomi, Atekeh; Karimi Ahmadabad, Fatemeh; Fejfarová, Karla; van der Lee, Arie; Dušek, Michal
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o164 - o169
• a: 11.3715 ± 0.0004 Å
• b: 17.7755 ± 0.0007 Å
• c: 13.6956 ± 0.0005 Å
• α: 90°
• β: 119.371 ± 0.004°
• γ: 90°
• Cell volume: 2412.51 ± 0.18 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.6
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes