Information card for entry 8101696

Structure parameters

• Chemical name: N-4-Nitrophenyl phosphoramidic acid dimethyl ester
• Formula: C8 H11 N2 O5 P
• Calculated formula: C8 H11 N2 O5 P
• SMILES: P(=O)(OC)(OC)Nc1ccc(cc1)N(=O)=O
• Title of publication: Refinement of the crystal structure of N-4-nitrophenylphosphoramidic acid dimethyl ester, (CH~3~O)~2~PONHC~6~H~4~NO~2~, at 120 K
• Authors of publication: K. Gholivand; Z. Shariatinia; M. Pourayoubi
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 1
• Pages of publication: 65 - 66
• a: 24.714 ± 0.005 Å
• b: 7.3303 ± 0.0014 Å
• c: 11.98 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2170.3 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No