Information card for entry 1549350

Structure parameters

• Chemical name: 1,3-Bis(2,6-diisopropylphenyl)imidazolium perchlorate
• Formula: C27 H37 Cl N2 O4
• Calculated formula: C27 H37 Cl N2 O4
• SMILES: Cl(=O)(=O)(=O)[O-].n1(c[n+](cc1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: 1,3-Bis(2,6-diisopropylphenyl)imidazolium perchlorate
• Authors of publication: Minaker, Samuel A.; Wang, Ruiyao; Aquino, Manuel A. S.
• Journal of publication: IUCrData
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 4
• Pages of publication: x180516
• a: 11.0729 ± 0.0012 Å
• b: 12.6284 ± 0.0013 Å
• c: 19.6141 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2742.7 ± 0.5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• 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: 0.0844
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes