Information card for entry 7133726

Structure parameters

• Formula: C12 H10 B F2 N3
• Calculated formula: C12 H10 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, Songmeng; Song, Xiu-Fang; Chang, Xiaoyong; Zou, Chao; Lu, Wei; Li, Kai
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 81
• Pages of publication: 11524 - 11527
• a: 7.7848 ± 0.0005 Å
• b: 18.2595 ± 0.001 Å
• c: 7.9179 ± 0.0005 Å
• α: 90°
• β: 108.873 ± 0.004°
• γ: 90°
• Cell volume: 1064.99 ± 0.12 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: 0.0452
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No