Information card for entry 2237123

Structure parameters

• Chemical name: 2-(4-Methoxyphenyl)-1-pentyl-4,5-diphenyl-1<i>H</i>-imidazole
• Formula: C27 H28 N2 O
• Calculated formula: C27 H28 N2 O
• SMILES: c1(c(n(c(n1)c1ccc(OC)cc1)CCCCC)c1ccccc1)c1ccccc1
• Title of publication: 2-(4-Methoxyphenyl)-1-pentyl-4,5-diphenyl-1<i>H</i>-imidazole
• Authors of publication: Simpson, Jim; Mohamed, Shaaban K.; Marzouk, Adel A.; Talybov, Avtandil H.; Abdelhamid, Antar A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o5 - o6
• a: 9.7214 ± 0.0019 Å
• b: 10.739 ± 0.001 Å
• c: 11.7367 ± 0.001 Å
• α: 114.069 ± 0.004°
• β: 99.021 ± 0.006°
• γ: 95.425 ± 0.006°
• Cell volume: 1087.7 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes