Information card for entry 7243370

Structure parameters

• Formula: C9 H10 B F2 N O3
• Calculated formula: C9 H10 B F2 N O3
• Title of publication: Photophysical properties of a boron analogue of coumarin
• Authors of publication: Wang, Huayi; Schrage, Briana; Takematsu, Kana; Ziegler, Christopher
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2021
• a: 6.5253 ± 0.0016 Å
• b: 11.9 ± 0.003 Å
• c: 13.029 ± 0.003 Å
• α: 90°
• β: 100.248 ± 0.006°
• γ: 90°
• Cell volume: 995.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0661
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No