Information card for entry 7157355

Structure parameters

• Common name: 166-B.HI half dichloromethane solvate
• Formula: C19.5 H26 Cl I N2
• Calculated formula: C19.5 H26 Cl I N2
• Title of publication: The pK_a values of N-aryl imidazolinium salts, their higher homologues, and formamidinium salts in dimethyl sulfoxide.
• Authors of publication: Konstandaras, Nicholas; Dunn, Michelle H.; Luis, Ena T.; Cole, Marcus L.; Harper, Jason B.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 10
• Pages of publication: 1910 - 1917
• a: 16.678 ± 0.0005 Å
• b: 26.824 ± 0.0008 Å
• c: 11.0601 ± 0.0003 Å
• α: 90°
• β: 124.701 ± 0.001°
• γ: 90°
• Cell volume: 4067.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0408
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No