Information card for entry 7158101

Structure parameters

• Formula: C20 H15 B F2 N4 S
• Calculated formula: C20 H15 B F2 N4 S
• SMILES: s1c(nc2c1N(c1ccc(cc1)C)[B](F)(F)[n]1c2cccc1)c1ncccc1
• Title of publication: Boron complexes of thiazole-bridged 1,5-bidentate nitrogen ligands: synthesis and acid-responsive photophysical properties
• Authors of publication: Puji Pamungkas, Khurnia Krisna; Maruyama, Toshifumi; Murai, Toshiaki
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2021
• a: 7.9896 ± 0.0002 Å
• b: 9.2646 ± 0.0003 Å
• c: 13.4601 ± 0.0004 Å
• α: 105.166 ± 0.003°
• β: 96.037 ± 0.002°
• γ: 108.811 ± 0.003°
• Cell volume: 890.46 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No