Information card for entry 7133727

Structure parameters

• Formula: C28 H30 B F2 N3
• Calculated formula: C28 H30 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: 13.6165 ± 0.0005 Å
• b: 14.8008 ± 0.0005 Å
• c: 12.2884 ± 0.0004 Å
• α: 90°
• β: 108.416 ± 0.002°
• γ: 90°
• Cell volume: 2349.71 ± 0.14 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: 0.04
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No