Information card for entry 2003534

Structure parameters

• Chemical name: 2-Nitrophenyl Phenoxyformate
• Formula: C13 H9 N O5
• Calculated formula: C13 H9 N O5
• Title of publication: 2-Nitrophenyl Phenoxyformate, C~13~H~9~NO~5~
• Authors of publication: Bryant, Jnr, G. L.; King, Jnr, J. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 6
• Pages of publication: 1141 - 1143
• a: 14.445 ± 0.003 Å
• b: 5.767 ± 0.001 Å
• c: 28.603 ± 0.005 Å
• α: 90°
• β: 90.27 ± 0.02°
• γ: 90°
• Cell volume: 2382.7 ± 0.8 ų
• Cell temperature: 213.9 K
• Ambient diffraction temperature: 213.9 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0902
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for all reflections: 0.1007
• Weighted residual factors for significantly intense reflections: 0.087
• Goodness-of-fit parameter for significantly intense reflections: 0.91
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CopperKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No