Information card for entry 2241236

Structure parameters

• Formula: C12 H24 N2 O3
• Calculated formula: C12 H24 N2 O3
• SMILES: [NH2+](C1CCCCC1)C1CCCCC1.N(=O)(=O)[O-]
• Title of publication: Crystal structure of dicyclohexylammonium nitrate(V)
• Authors of publication: Rojek, Tomasz; Matczak-Jon, Ewa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 11
• Pages of publication: o878 - o879
• a: 8.436 ± 0.002 Å
• b: 18.682 ± 0.005 Å
• c: 8.427 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1328.1 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No