Information card for entry 7714113

Structure parameters

• Formula: C19 H28 B F3 N2 O3 S
• Calculated formula: C19 H28 B F3 N2 O3 S
• SMILES: S(=O)(=O)([O-])C(F)(F)F.[n]12ccccc1C=[N](C(C)(C)C)[B]12C2CCCC1CCC2
• Title of publication: Synthesis, Structures, and Solid-State Photoresponsive Color Change Behavior of Boronium Complexes Bearing a Pyridine-Imine, Diimine, or Pyridine-Ketone Bidentate Ligand
• Authors of publication: Yoshino, Junro; Hirono, Yoshito; Kaneda, Ayako; Hayashi, Naoto
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 10.0315 ± 0.0005 Å
• b: 10.2684 ± 0.0005 Å
• c: 10.3623 ± 0.0005 Å
• α: 103.937 ± 0.007°
• β: 93.072 ± 0.007°
• γ: 102.395 ± 0.007°
• Cell volume: 1005.56 ± 0.1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0703
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1352
• Weighted residual factors for all reflections included in the refinement: 0.1481
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No