Information card for entry 7052938

Structure parameters

• Formula: C23 H25 B F2 N2 O2
• Calculated formula: C23 H25 B F2 N2 O2
• SMILES: [B]1(F)(F)[n]2c(cc(c2=C(c2n1c(cc2C)C)c1ccc2OC(OCc2c1)(C)C)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: 13.996 ± 0.002 Å
• b: 11.0508 ± 0.0017 Å
• c: 14.095 ± 0.002 Å
• α: 90°
• β: 100.373 ± 0.007°
• γ: 90°
• Cell volume: 2144.4 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.2186
• Weighted residual factors for all reflections included in the refinement: 0.2299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No