Information card for entry 7247278

Structure parameters

• Formula: C7 H7 B O3
• Calculated formula: C7 H7 B O3
• Title of publication: Substitution position regulating the excitation-dependent fluorescence–phosphorescence emission of formylphenylboronic acids for single-component white light and anticounterfeiting
• Authors of publication: Li, Guoyan; Yang, Xiaofeng; Miao, Jinling; Cui, Yu; Sun, Guoxin; Li, Yexin
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 38
• Pages of publication: 5479 - 5485
• a: 3.889 ± 0.002 Å
• b: 13.249 ± 0.008 Å
• c: 14.043 ± 0.009 Å
• α: 90°
• β: 91.986 ± 0.009°
• γ: 90°
• Cell volume: 723.1 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0685
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1779
• Weighted residual factors for all reflections included in the refinement: 0.1929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No