Information card for entry 2244150

Structure parameters

• Chemical name: <i>N</i>-Butyl-2,3-bis(dicyclohexylamino)cyclopropeniminium chloride benzene monosolvate
• Formula: C37 H60 Cl N3
• Calculated formula: C37 H60 Cl N3
• Title of publication: Crystal structure of <i>N</i>-butyl-2,3-bis(dicyclohexylamino)cyclopropeniminium chloride benzene monosolvate
• Authors of publication: Muñoz Sánchez, Gaby M.; Zdilla, Michael J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 9
• a: 12.253 ± 0.003 Å
• b: 22.699 ± 0.007 Å
• c: 12.884 ± 0.003 Å
• α: 90°
• β: 104.164 ± 0.007°
• γ: 90°
• Cell volume: 3474.5 ± 1.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.15 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: 0.0708
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes