Information card for entry 7123557

Structure parameters

• Formula: C31 H29 B F2 O2
• Calculated formula: C31 H29 B F2 O2
• Title of publication: Ratiometric O2 Sensing Based on Selective Self-Sensitized Photooxidation of Donor-Acceptor Fluorophores
• Authors of publication: Wang, Jian-Xin; Niu, Li-Ya; Chen, Peng-Zhong; Chen, Yu-Zhe; Yang, Qing-Zheng; Boulatov, Roman
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 8.7064 ± 0.0017 Å
• b: 10.639 ± 0.002 Å
• c: 15.826 ± 0.003 Å
• α: 71.8 ± 0.03°
• β: 81.15 ± 0.03°
• γ: 83.26 ± 0.03°
• Cell volume: 1372.2 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153.15 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: 0.1012
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.2162
• Weighted residual factors for all reflections included in the refinement: 0.2327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No