Information card for entry 7133728

Structure parameters

• Formula: C16 H12 B F2 N3
• Calculated formula: C16 H12 B F2 N3
• Title of publication: Tetradentate Carbene-Anilido Boron Complexes: Highly Fluorescent Dyes with Larger Stokes Shifts than BODIPY Analogues
• Authors of publication: He, Jiang; Wang, Song-Meng; Song, Xiu-Fang; Chang, Xiaoyong; Zou, Chao; Lu, Wei; Li, Kai
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 6.8997 ± 0.0005 Å
• b: 9.3476 ± 0.0007 Å
• c: 20.3994 ± 0.0015 Å
• α: 90°
• β: 99.599 ± 0.002°
• γ: 90°
• Cell volume: 1297.25 ± 0.17 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1713
• Weighted residual factors for all reflections included in the refinement: 0.1763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No