Information card for entry 2018451

Structure parameters

• Common name: <i>N</i>,<i>N</i>'-di-<i>tert</i>-butyl-<i>N</i>'',<i>N</i>''- dimethylphosphoric triamide
• Chemical name: <i>tert</i>-butyl[(<i>tert</i>-butylamino)(dimethylamino)phosphoryl]amine
• Formula: C10 H26 N3 O P
• Calculated formula: C10 H26.0005 N3 O P
• 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: 12.0615 ± 0.0004 Å
• b: 21.2567 ± 0.0007 Å
• c: 17.1877 ± 0.0006 Å
• α: 90°
• β: 90.529 ± 0.003°
• γ: 90°
• Cell volume: 4406.5 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0961
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections: 0.1609
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9236
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes