Information card for entry 7714112

Structure parameters

• Formula: C18 H26 B F3 N2 O3 S
• Calculated formula: C18 H26 B F3 N2 O3 S
• SMILES: S(=O)(=O)([O-])C(F)(F)F.[n]12ccccc1C=[N](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: 9.8281 ± 0.0002 Å
• b: 10.036 ± 0.0003 Å
• c: 11.5195 ± 0.0003 Å
• α: 69.74 ± 0.005°
• β: 68.754 ± 0.005°
• γ: 88.267 ± 0.006°
• Cell volume: 987.57 ± 0.07 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: 0.0439
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No