Information card for entry 7128800

Structure parameters

• Formula: C10 H8 B F2 I O2
• Calculated formula: C10 H8 B F2 I O2
• SMILES: Ic1ccc(cc1)C1=[O][B](F)(F)OC(=C1)C
• Title of publication: Unexpected long room-temperature phosphorescence lifetimes of up to 1.0 s observed in iodinated molecular systems.
• Authors of publication: Li, Junbo; Wang, Xuepu; Pan, Yingtong; Sun, Yan; Wang, Guangming; Zhang, Kaka
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 70
• Pages of publication: 8794 - 8797
• a: 7.6012 ± 0.0003 Å
• b: 14.2747 ± 0.0005 Å
• c: 10.6115 ± 0.0004 Å
• α: 90°
• β: 91.801 ± 0.001°
• γ: 90°
• Cell volume: 1150.83 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No