Information card for entry 2200271

Structure parameters

• Chemical name: N,N-dimethylphosphoramidic acid bis(4-nitrophenyl) ester
• Formula: C14 H14 N3 O7 P
• Calculated formula: C14 H14 N3 O7 P
• SMILES: P(=O)(Oc1ccc(N(=O)=O)cc1)(Oc1ccc(N(=O)=O)cc1)N(C)C
• Title of publication: Bis(4-nitrophenyl) <i>N</i>,<i>N</i>-dimethylphosphoramidate
• Authors of publication: Gholivand, Khodayar; Tadjarodi, Azadeh; Taeb, Abbas; Garivani, Gholamhossein; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 5
• Pages of publication: o472 - o473
• a: 9.139 ± 0.002 Å
• b: 11.083 ± 0.002 Å
• c: 16.411 ± 0.003 Å
• α: 90°
• β: 95.838 ± 0.002°
• γ: 90°
• Cell volume: 1653.6 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0989
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes