Information card for entry 2207247

Structure parameters

• Common name: Cyclohexylaminium vicrate
• Chemical name: Cyclohexylammonium picrate
• Formula: C12 H16 N4 O7
• Calculated formula: C12 H16 N4 O7
• SMILES: [O-]c1c(cc(N(=O)=O)cc1N(=O)=O)N(=O)=O.[NH3+]C1CCCCC1
• Title of publication: Cyclohexylammonium picrate
• Authors of publication: Chellamuthu Muthamizhchelvan; Kolandaivelu Saminathan; Krishnan SethuSankar; Kandasamy Sivakumar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3605 - o3607
• a: 23.543 ± 0.001 Å
• b: 8.7177 ± 0.001 Å
• c: 18.6177 ± 0.0014 Å
• α: 90°
• β: 128.484 ± 0.01°
• γ: 90°
• Cell volume: 2991.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1239
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1452
• Weighted residual factors for all reflections included in the refinement: 0.1763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes