Information card for entry 7052937

Structure parameters

• Formula: C20 H19 B F2 N2 O2
• Calculated formula: C20 H19 B F2 N2 O2
• SMILES: [B]1(F)(F)[n]2c(cc(c2=C(c2n1c(C)cc2C)c1cc(c(O)cc1)C=O)C)C
• Title of publication: Selective and competitive cysteine chemosensing: resettable fluorescent “turn on” aqueous detection via Cu2+ displacement and salicylaldimine hydrolysis
• Authors of publication: Tsay, Olga G.; Lee, Kang Mun; Churchill, David G.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2012
• Journal volume: 36
• Journal issue: 10
• Pages of publication: 1949
• a: 11.408 ± 0.003 Å
• b: 8.848 ± 0.002 Å
• c: 18.193 ± 0.005 Å
• α: 90°
• β: 97.562 ± 0.011°
• γ: 90°
• Cell volume: 1820.4 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0691
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No