Information card for entry 2220640

Structure parameters

• Common name: Morpholinium picrate
• Chemical name: Morpholinium 2,4,6-trinitrophenolate
• Formula: C10 H12 N4 O8
• Calculated formula: C10 H12 N4 O8
• SMILES: c1([O-])c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O.O1CC[NH2+]CC1
• Title of publication: Morpholinium 2,4,6-trinitrophenolate
• Authors of publication: Vembu, Nagarajan; Fronczek, Frank R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o156 - o157
• a: 8.3179 ± 0.0005 Å
• b: 9.5733 ± 0.0005 Å
• c: 16.8451 ± 0.001 Å
• α: 91.292 ± 0.004°
• β: 98.604 ± 0.004°
• γ: 107.589 ± 0.004°
• Cell volume: 1261 ± 0.13 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 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: 0.0313
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes