Information card for entry 2019811

Structure parameters

• Chemical name: 4-<i>tert</i>-Butyl-2-{2-[<i>N</i>-(3,3-dimethyl-2-oxobutyl)-<i>N</i>-isopropylcarbamoyl]phenyl}-1-isopropyl-1<i>H</i>-imidazol-3-ium perchlorate
• Formula: C26 H40 Cl N3 O6
• Calculated formula: C26 H40 Cl N3 O6
• Title of publication: Crystal structure of 4-tert-butyl-2-{2-[N-(3,3-dimethyl-2-oxobutyl)-N-isopropylcarbamoyl]phenyl}-1-isopropyl-1H-imidazol-3-ium perchlorate
• Authors of publication: Hordiyenko, Olga V.; Zubatyuk, Roman I.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• Pages of publication: 223
• a: 10.0605 ± 0.0003 Å
• b: 12.7027 ± 0.0004 Å
• c: 23.1455 ± 0.0006 Å
• α: 90°
• β: 94.107 ± 0.003°
• γ: 90°
• Cell volume: 2950.3 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• 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: 0.0805
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1627
• Weighted residual factors for all reflections included in the refinement: 0.1788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes