Information card for entry 2227535

Structure parameters

• Common name: Morpholinium styphnate
• Chemical name: morpholinium 3-hydroxy-2,4,6-trinitrophenolate
• Formula: C10 H12 N4 O9
• Calculated formula: C10 H12 N4 O9
• SMILES: c1([O-])c(c(c(cc1N(=O)=O)N(=O)=O)O)N(=O)=O.C1COCC[NH2+]1
• Title of publication: Morpholinium styphnate
• Authors of publication: Kalaivani, D.; Malarvizhi, R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2698
• a: 7.68 ± 0.005 Å
• b: 7.973 ± 0.005 Å
• c: 11.852 ± 0.005 Å
• α: 94.785 ± 0.005°
• β: 99.016 ± 0.005°
• γ: 108.188 ± 0.005°
• Cell volume: 674.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes