Information card for entry 2220522

Structure parameters

• Chemical name: 1-(2-Phenylbenzyl)-3-(2,4,6-trimethylbenzyl)imidazolidinium bromide
• Formula: C26 H29 Br N2
• Calculated formula: C26 H29 Br N2
• SMILES: [Br-].N1(CC[N+](=C1)Cc1c(cccc1)c1ccccc1)Cc1c(cc(cc1C)C)C
• Title of publication: 1-(2-Phenylbenzyl)-3-(2,4,6-trimethylbenzyl)imidazolidinium bromide
• 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: 1
• Pages of publication: o121 - o122
• a: 18.626 ± 0.004 Å
• b: 13.793 ± 0.003 Å
• c: 8.8181 ± 0.0018 Å
• α: 90°
• β: 95.08 ± 0.03°
• γ: 90°
• Cell volume: 2256.5 ± 0.8 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• 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: 0.0993
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.2211
• Weighted residual factors for all reflections included in the refinement: 0.2408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes