Information card for entry 2207560

Structure parameters

• Chemical name: Piperidinium picrate
• Formula: C11 H14 N4 O7
• Calculated formula: C11 H14 N4 O7
• SMILES: [O-]c1c(cc(N(=O)=O)cc1N(=O)=O)N(=O)=O.[NH2+]1CCCCC1
• Title of publication: Piperidinium picrate
• Authors of publication: Kolandaivelu Saminathan; Chellamuthu Muthamizhchelvan; Kandasamy Sivakumar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4379 - o4381
• a: 6.875 ± 0.0015 Å
• b: 9.3471 ± 0.0017 Å
• c: 11.9198 ± 0.0011 Å
• α: 105.393 ± 0.012°
• β: 91.856 ± 0.011°
• γ: 111.341 ± 0.018°
• Cell volume: 680.7 ± 0.2 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: 0.0575
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes