Information card for entry 2219204

Structure parameters

• Chemical name: 1-{2-Phenyl-2-[4-(trifluoromethyl)benzyloxy]ethyl}-1<i>H</i>-benzimidazole
• Formula: C23 H19 F3 N2 O
• Calculated formula: C23 H19 F3 N2 O
• SMILES: FC(F)(F)c1ccc(COC(Cn2cnc3ccccc23)c2ccccc2)cc1
• Title of publication: 1-{2-Phenyl-2-[4-(trifluoromethyl)benzyloxy]ethyl}-1<i>H</i>-benzimidazole
• Authors of publication: Özel Güven, Özden; Erdoğan, Taner; Coles, Simon J.; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1655 - o1656
• a: 39.3006 ± 0.0015 Å
• b: 9.5834 ± 0.0002 Å
• c: 23.012 ± 0.0009 Å
• α: 90°
• β: 113.668 ± 0.001°
• γ: 90°
• Cell volume: 7938.1 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1383
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.1928
• Weighted residual factors for all reflections included in the refinement: 0.2268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes