Information card for entry 7132307

Structure parameters

• Formula: C31 H43 Cl6 I N2
• Calculated formula: C31 H43 Cl6 I N2
• Title of publication: The facile alkylation and iodination of imidazol(in)ium salts in the presence of cesium carbonate
• Authors of publication: Mazars, François; Zaragoza, Guillermo; Delaude, Lionel
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 17.5644 ± 0.001 Å
• b: 44.896 ± 0.003 Å
• c: 9.5243 ± 0.0005 Å
• α: 90°
• β: 98.986 ± 0.002°
• γ: 90°
• Cell volume: 7418.4 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0791
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.226
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No