Information card for entry 2239454

Structure parameters

• Chemical name: Cyclohexylammonium nitrate
• Formula: C6 H14 N2 O3
• Calculated formula: C6 H14 N2 O3
• SMILES: [NH3+]C1CCCCC1.O=N(=O)[O-]
• Title of publication: Cyclohexylammonium nitrate
• Authors of publication: Bagabas, Abdulaziz A.; Aboud, Mohamed F. A.; Shemsi, Ahsan M.; Addurihem, Emad S.; Al-Othman, Zeid A.; Chidan Kumar, C. S.; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: o253 - o254
• a: 8.9322 ± 0.0009 Å
• b: 9.901 ± 0.0009 Å
• c: 10.3951 ± 0.001 Å
• α: 90°
• β: 103.866 ± 0.002°
• γ: 90°
• Cell volume: 892.53 ± 0.15 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes