Information card for entry 7157354

Structure parameters

• Common name: 167-C.HI
• Formula: C7.5 H8.5 I0.5 N
• Calculated formula: C7.5 H8.5 I0.5 N
• 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: 7.3978 ± 0.0004 Å
• b: 11.414 ± 0.0004 Å
• c: 17.0191 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1437.07 ± 0.11 ų
• Cell temperature: 151 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0244
• Residual factor for significantly intense reflections: 0.0186
• Weighted residual factors for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections included in the refinement: 0.0482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No