Information card for entry 2215896

Structure parameters

• Chemical name: Octane-1,8-diammonium dichloride monohydrate
• Formula: C8 H24 Cl2 N2 O
• Calculated formula: C8 H24 Cl2 N2 O
• SMILES: C(CCCCCCC[NH3+])[NH3+].O.[Cl-].[Cl-]
• Title of publication: Octane-1,8-diammonium dichloride monohydrate
• Authors of publication: van Blerk, Charmaine; Kruger, Gert J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4289 - o4289
• a: 24.719 ± 0.003 Å
• b: 5.0827 ± 0.0006 Å
• c: 10.8593 ± 0.0014 Å
• α: 90°
• β: 103.59 ± 0.003°
• γ: 90°
• Cell volume: 1326.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0534
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes