Information card for entry 2206337

Structure parameters

• Chemical name: N-(2-Nitrophenyl)-1-oxo-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane- 4-carboxamide
• Formula: C11 H11 N2 O7 P
• Calculated formula: C11 H11 N2 O7 P
• SMILES: P12(=O)OCC(CO2)(CO1)C(=O)Nc1ccccc1N(=O)=O
• Title of publication: <i>N</i>-(2-Nitrophenyl)-1-oxo-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane-4-carboxamide
• Authors of publication: Zang, Hong-Jun; Guo, Ming-Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o2772 - o2774
• a: 8.2381 ± 0.0014 Å
• b: 12.269 ± 0.002 Å
• c: 12.937 ± 0.002 Å
• α: 90°
• β: 105.075 ± 0.003°
• γ: 90°
• Cell volume: 1262.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.065
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes