Information card for entry 7126438

Structure parameters

• Formula: C24 H29 B F2 O3
• Calculated formula: C24 H29 B F2 O3
• Title of publication: A difluoroboron β-diketonate based thermometer with temperature-dependent emission wavelength.
• Authors of publication: Wang, Jian-Xin; Yu, Yi-Shuai; Niu, Li-Ya; Zou, Bo; Wang, Kai; Yang, Qing-Zheng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 46
• Pages of publication: 6269 - 6272
• a: 10.1293 ± 0.0006 Å
• b: 14.9169 ± 0.0007 Å
• c: 16.0997 ± 0.0007 Å
• α: 70.326 ± 0.004°
• β: 79.384 ± 0.004°
• γ: 77.847 ± 0.004°
• Cell volume: 2222.2 ± 0.2 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1401
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No