Information card for entry 7155615

Structure parameters

• Formula: C31.25 H29.5 B Cl0.5 F2 N2 O4
• Calculated formula: C31.25 H29.5 B Cl0.5 F2 N2 O4
• Title of publication: BODIPY blocked anthroxyl radicals: the substituent effect on reactivity and fluorescence turn-on detection of a hydroxyl radical.
• Authors of publication: Miao, Fang; Lim, Zheng Long; Hu, Pan; Dong, Shaoqiang; Qi, Qingbiao; Zhang, Xiaojie; Wu, Jishan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 15
• Pages of publication: 3188 - 3191
• a: 8.3338 ± 0.0009 Å
• b: 12.5679 ± 0.0014 Å
• c: 14.0639 ± 0.0016 Å
• α: 87.509 ± 0.005°
• β: 81.274 ± 0.005°
• γ: 75.494 ± 0.005°
• Cell volume: 1409.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0945
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.2314
• Weighted residual factors for all reflections included in the refinement: 0.2449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No