Information card for entry 1518562

Structure parameters

• Formula: C30 H23 F3 N2 O2
• Calculated formula: C30 H23 F3 N2 O2
• SMILES: FC(F)(F)c1ccc(c2nc(c(n2c2ccc(C)cc2)c2c(OC)cccc2)c2ccccc2O)cc1
• Title of publication: Optical Behavior of Substituted 4-(2'-Hydroxyphenyl)imidazoles.
• Authors of publication: Jeżewski, Artur; Hammann, Tommy; Cywiński, Piotr J; Gryko, Daniel T.
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2015
• Journal volume: 119
• Journal issue: 6
• Pages of publication: 2507 - 2514
• a: 12.476 ± 0.002 Å
• b: 8.8085 ± 0.0015 Å
• c: 23.896 ± 0.004 Å
• α: 90°
• β: 103.508 ± 0.006°
• γ: 90°
• Cell volume: 2553.4 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.2977
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No