Information card for entry 2232565

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>',<i>N</i>''-Tricyclohexylguanidinium iodide
• Formula: C19 H36 I N3
• Calculated formula: C19 H36 I N3
• SMILES: C(=[NH+]C1CCCCC1)(NC1CCCCC1)NC1CCCCC1.[I-]
• Title of publication: <i>N</i>,<i>N</i>',<i>N</i>''-Tricyclohexylguanidinium iodide
• Authors of publication: Said, Farouq F.; Ali, Basem F.; Richeson, Darrin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3467
• a: 12.893 ± 0.004 Å
• b: 12.893 ± 0.004 Å
• c: 12.893 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2143.2 ± 1.2 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 2 K
• Number of distinct elements: 4
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes