Information card for entry 1549984

Structure parameters

• Chemical name: ethyl 4-(2-(5-(tert-butyl)-3-formyl-2-hydroxyphenyl)-4,5-diphenyl-1H-imidazol-1-yl)benzoate
• Formula: C35 H32 N2 O4
• Calculated formula: C35 H32 N2 O4
• SMILES: O=C(OCC)c1ccc(n2c(c(nc2c2cc(cc(c2O)C=O)C(C)(C)C)c2ccccc2)c2ccccc2)cc1
• Title of publication: Fluorescent imidazole-based chemosensors for the reversible detection of cyanide and mercury ions.
• Authors of publication: Emandi, Ganapathi; Flanagan, Keith J.; Senge, Mathias O.
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2018
• Journal volume: 17
• Journal issue: 10
• Pages of publication: 1450 - 1461
• a: 10.1174 ± 0.0006 Å
• b: 10.6043 ± 0.0006 Å
• c: 14.0472 ± 0.0008 Å
• α: 83.956 ± 0.001°
• β: 72.182 ± 0.001°
• γ: 87.318 ± 0.001°
• Cell volume: 1426.66 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0779
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No