Information card for entry 7132305

Structure parameters

• Formula: C21 H24 I2 N2
• Calculated formula: C21 H24 I2 N2
• SMILES: Ic1n(c2c(cc(cc2C)C)C)cc[n+]1c1c(cc(cc1C)C)C.[I-]
• 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: 8.0999 ± 0.0004 Å
• b: 9.3367 ± 0.0005 Å
• c: 15.524 ± 0.0009 Å
• α: 87.968 ± 0.002°
• β: 79.642 ± 0.002°
• γ: 74.3022 ± 0.0018°
• Cell volume: 1111.71 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.243
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No