Information card for entry 7245067

Structure parameters

• Formula: C19 H16 B F2 N O
• Calculated formula: C19 H16 B F2 N O
• SMILES: F[B]1(Oc2c(C=[N]1[C@@H](C)c1ccccc1)ccc1c2cccc1)F
• Title of publication: Multi-colour circularly polarized luminescence properties of chiral Schiff-base boron difluoride complexes
• Authors of publication: Ikeshita, Masahiro; Suzuki, Takato; Matsudaira, Kana; Kitahara, Maho; Imai, Yoshitane; Tsuno, Takashi
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2022
• a: 8.7506 ± 0.0008 Å
• b: 6.4046 ± 0.0006 Å
• c: 14.903 ± 0.0014 Å
• α: 90°
• β: 101.334 ± 0.008°
• γ: 90°
• Cell volume: 818.94 ± 0.13 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1063
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No