Information card for entry 2232375

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Di-<i>tert</i>-butyl-<i>N</i>''-(2-chloroacetyl)phosphoric triamide
• Formula: C10 H23 Cl N3 O2 P
• Calculated formula: C10 H23 Cl N3 O2 P
• SMILES: ClCC(=O)NP(=O)(NC(C)(C)C)NC(C)(C)C
• Title of publication: <i>N</i>,<i>N</i>'-Di-<i>tert</i>-butyl-<i>N</i>''-(2-chloroacetyl)phosphoric triamide
• Authors of publication: Pourayoubi, Mehrdad; Elahi, Behrouz; Parvez, Masood
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2848
• a: 16.4781 ± 0.0005 Å
• b: 9.8872 ± 0.0002 Å
• c: 19.6509 ± 0.0006 Å
• α: 90°
• β: 111.575 ± 0.0012°
• γ: 90°
• Cell volume: 2977.26 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes