Information card for entry 7713999

Structure parameters

• Chemical name: 1,3-Diisopropyl-4,5-dimethylimidazolium chloride
• Formula: C11 H21 Cl N2
• Calculated formula: C11 H21 Cl N2
• Title of publication: Reactivity of free N-heterocyclic carbenes in dichloromethane
• Authors of publication: Buchner, Magnus Richard; Bekiş, Deniz F.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 11.5065 ± 0.0011 Å
• b: 7.5925 ± 0.0005 Å
• c: 15.0274 ± 0.0014 Å
• α: 90°
• β: 104.919 ± 0.008°
• γ: 90°
• Cell volume: 1268.59 ± 0.19 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0568
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No