Information card for entry 7245068

Structure parameters

• Formula: C23 H18 B F2 N O
• Calculated formula: C23 H18 B F2 N O
• SMILES: O1c2c3c4ccccc4ccc3ccc2C=[N]([C@H](c2ccccc2)C)[B]1(F)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: 9.7997 ± 0.0005 Å
• b: 16.3983 ± 0.0008 Å
• c: 22.936 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3685.8 ± 0.3 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: 0.0945
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1493
• Weighted residual factors for all reflections included in the refinement: 0.1696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No