Information card for entry 1544231

Structure parameters

• Common name: <i>N</i>,<i>N</i>-Dicyclohexylnitramine
• Chemical name: <i>N</i>-Cyclohexyl-<i>N</i>-nitrocyclohexanamine
• Formula: C12 H22 N2 O2
• Calculated formula: C12 H22 N2 O2
• SMILES: O=N(=O)N(C1CCCCC1)C1CCCCC1
• Title of publication: <i>N</i>,<i>N</i>-Dicyclohexylnitramine
• Authors of publication: Gajda, Katarzyna; Dziuk, Błażej; Daszkiewicz, Zdzisław; Zarychta, Bartosz
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 9
• Pages of publication: x161513
• a: 5.9136 ± 0.0001 Å
• b: 19.1658 ± 0.0004 Å
• c: 10.8946 ± 0.0002 Å
• α: 90°
• β: 91.852 ± 0.002°
• γ: 90°
• Cell volume: 1234.14 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes