Information card for entry 1550880

Structure parameters

• Chemical name: 1,3-Bis(2,4,6-trimethylphenyl)imidazolium perchlorate
• Formula: C21 H25 Cl N2 O4
• Calculated formula: C21 H25 Cl N2 O4
• SMILES: n1(c[n+](cc1)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.Cl(=O)(=O)(=O)[O-]
• Title of publication: 1,3-Bis(2,4,6-trimethylphenyl)imidazolium perchlorate
• Authors of publication: Wang, Ruiyao; Aquino, Manuel A.S.
• Journal of publication: IUCrData
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 4
• Pages of publication: x190494
• a: 8.4771 ± 0.0002 Å
• b: 16.0726 ± 0.0004 Å
• c: 15.7922 ± 0.0003 Å
• α: 90°
• β: 103.958 ± 0.001°
• γ: 90°
• Cell volume: 2088.14 ± 0.08 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes