Information card for entry 1572309

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: 11.1573 ± 0.0005 Å
• b: 15.764 ± 0.0009 Å
• c: 20.1788 ± 0.001 Å
• α: 77.015 ± 0.005°
• β: 77.796 ± 0.004°
• γ: 81.704 ± 0.004°
• Cell volume: 3362.7 ± 0.3 ų
• Cell temperature: 150.01 ± 0.19 K
• Ambient diffraction temperature: 150.01 ± 0.19 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: 0.0655
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No