Information card for entry 2220805

Structure parameters

• Chemical name: 1,3-Bis(4-<i>tert</i>-butylbenzyl)-4,5-dihydroimidazolium chloride monohydrate
• Formula: C25 H37 Cl N2 O
• Calculated formula: C25 H37 Cl N2 O
• Title of publication: 1,3-Bis(4-<i>tert</i>-butylbenzyl)-4,5-dihydroimidazolium chloride monohydrate
• Authors of publication: Arslan, Hakan; VanDerveer, Don; Yaşar, Sedat; Özdemir, İsmail; Çetinkaya, Bekir
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o310 - o311
• a: 18.205 ± 0.004 Å
• b: 10.148 ± 0.002 Å
• c: 13.452 ± 0.003 Å
• α: 90°
• β: 100.01 ± 0.03°
• γ: 90°
• Cell volume: 2447.4 ± 0.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.108
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1642
• Weighted residual factors for all reflections included in the refinement: 0.2072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes