Information card for entry 2207661

Structure parameters

• Chemical name: N-(3-Nitrophenyl)-1-oxo-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane-4-carboxamide dimethylformamide solvate
• Formula: C14 H18 N3 O8 P
• Calculated formula: C14 H18 N3 O8 P
• Title of publication: <i>N</i>-(3-Nitrophenyl)-1-oxo-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane-4-carboxamide dimethylformamide solvate
• Authors of publication: Zang, Hong-Jun; Guo, Ming-Lin; Cheng, Bo-Wen; Ren, Yuan-Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4195 - o4197
• a: 11.052 ± 0.002 Å
• b: 6.721 ± 0.0015 Å
• c: 13.204 ± 0.003 Å
• α: 90°
• β: 114.344 ± 0.003°
• γ: 90°
• Cell volume: 893.6 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No