Information card for entry 1572310

Structure parameters

• Formula: C39 H17 B F10 N2 O2
• Calculated formula: C39 H17 B F10 N2 O2
• Title of publication: Reversible switching from fluorescence to room temperature phosphorescence amplified by exciton-vibration coupling through pressure-induced tiny packing changes.
• Authors of publication: Cao, Yangyang; Xu, Zhenzhen; Zhao, Xinyuqi; Yang, Yong; Liu, Haoran; Wang, Pingyang; Yu, Miao; Li, Hao; Fu, Hongbing
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 34
• Pages of publication: 13930 - 13936
• a: 10.9213 ± 0.0003 Å
• b: 15.6626 ± 0.0004 Å
• c: 20.1705 ± 0.0006 Å
• α: 77.832 ± 0.002°
• β: 78.451 ± 0.002°
• γ: 82.208 ± 0.002°
• Cell volume: 3288.74 ± 0.16 ų
• Cell temperature: 99.9 ± 0.3 K
• Ambient diffraction temperature: 99.9 ± 0.3 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1162
• Residual factor for significantly intense reflections: 0.1055
• Weighted residual factors for significantly intense reflections: 0.2766
• Weighted residual factors for all reflections included in the refinement: 0.2805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No