Information card for entry 2238805

Structure parameters

• Common name: 2,4,6-trinitrophenyl furan 2-carboxilate
• Chemical name: 2,4,6-Trinitrophenyl furan-2-carboxylate
• Formula: C11 H5 N3 O9
• Calculated formula: C11 H5 N3 O9
• Title of publication: 2,4,6-Trinitrophenyl furan-2-carboxylate
• Authors of publication: Moreno-Fuquen, Rodolfo; Mosquera, Fabricio; Kennedy, Alan R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: o1682
• a: 7.0982 ± 0.0003 Å
• b: 8.4931 ± 0.0004 Å
• c: 20.497 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1235.68 ± 0.1 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No