Information card for entry 1508642

Structure parameters

• Formula: C15 H10 B F2 N O S
• Calculated formula: C15 H10 B F2 N O S
• SMILES: [n]12c3ccccc3sc1C=C(O[B]2(F)F)c1ccccc1
• Title of publication: Synthesis and fluorescence properties of thiazole-boron complexes bearing a β-ketoiminate ligand.
• Authors of publication: Kubota, Yasuhiro; Tanaka, Syunki; Funabiki, Kazumasa; Matsui, Masaki
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 17
• Pages of publication: 4682 - 4685
• a: 7.573 ± 0.005 Å
• b: 7.603 ± 0.005 Å
• c: 23.79 ± 0.016 Å
• α: 97.374 ± 0.013°
• β: 94.761 ± 0.011°
• γ: 91.033 ± 0.009°
• Cell volume: 1353.2 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.102
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No