Information card for entry 7125795

Structure parameters

• Formula: C19 H21 B Br F2 N3 O
• Calculated formula: C19 H21 B Br F2 N3 O
• Title of publication: Red-emitting boron difluoride complexes with a mega-large Stokes shift and unexpectedly high fluorescence quantum yield.
• Authors of publication: Ren, Xiaojie; Zhang, Fan; Luo, Hongchen; Liao, Lide; Song, Xiangzhi; Chen, Wenqiang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 14
• Pages of publication: 2159 - 2162
• a: 7.6521 ± 0.0001 Å
• b: 11.7979 ± 0.0002 Å
• c: 20.7618 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1874.35 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0402
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No