Information card for entry 7054491

Structure parameters

• Chemical name: 2-(4-phenyl-1-H-1,2,3-triazol-1-yl) phenol complex with Tetra-n-butylammonium fluoride
• Formula: C30 H47 F N4 O
• Calculated formula: C30 H47 F N4 O
• SMILES: F.[O-]c1c(n2nnc(c2)c2ccccc2)cccc1.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: A simple and effective 1,2,3-triazole based “turn-on” fluorescence sensor for the detection of anions
• Authors of publication: Ghosh, Debanjana; Rhodes, Shannon; Hawkins, Karena; Winder, Domonique; Atkinson, Austin; Ming, Weihua; Padgett, Clifford; Orvis, Jeffrey; Aiken, Karelle; Landge, Shainaz
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 1
• Pages of publication: 295
• a: 9.575 ± 0.009 Å
• b: 20.505 ± 0.017 Å
• c: 15.88 ± 0.015 Å
• α: 90°
• β: 105.413 ± 0.011°
• γ: 90°
• Cell volume: 3006 ± 5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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 significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.2037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No