Information card for entry 2206617

Structure parameters

• Chemical name: Triethylaminium picrate
• Formula: C12 H18 N4 O7
• Calculated formula: C12 H18 N4 O7
• SMILES: [O-]c1c(N(=O)=O)cc(N(=O)=O)cc1N(=O)=O.[NH+](CC)(CC)CC
• Title of publication: Triethylaminium picrate
• Authors of publication: Chellamuthu Muthamizhchelvan; Kolandaivelu Saminathan; Krishnan SethuSankar; Jan Fraanje; Rene Peschar; Kandasamy Sivakumar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o2987 - o2989
• a: 21.9799 ± 0.0015 Å
• b: 6.9727 ± 0.0004 Å
• c: 20.77 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3183.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes