Information card for entry 7245069

Structure parameters

• Formula: C19 H16 B F2 N O
• Calculated formula: C19 H16 B F2 N O
• SMILES: F[B]1(F)Oc2c(cc3c(c2)cccc3)C=[N]1[C@H](c1ccccc1)C
• 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: 6.1678 ± 0.0014 Å
• b: 8.1722 ± 0.0013 Å
• c: 31.57 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1591.3 ± 0.5 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.2598
• Residual factor for significantly intense reflections: 0.1104
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No