Information card for entry 1571077

Structure parameters

• Formula: C107 H107 B F24 N4 O2 P2 S
• Calculated formula: C107 H107 B F24 N4 O2 P2 S
• Title of publication: Sequential radical and cationic reactivity at separated sites within one molecule in solution.
• Authors of publication: Liu, Shihua; Li, Yinwu; Lin, Jieli; Ke, Zhuofeng; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 14
• Pages of publication: 5376 - 5384
• a: 15.1726 ± 0.0002 Å
• b: 16.6364 ± 0.0002 Å
• c: 21.9306 ± 0.0002 Å
• α: 103.617 ± 0.001°
• β: 108.01 ± 0.001°
• γ: 91.825 ± 0.001°
• Cell volume: 5083.56 ± 0.11 ų
• Cell temperature: 149.98 ± 0.1 K
• Ambient diffraction temperature: 149.98 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0906
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.2159
• Weighted residual factors for all reflections included in the refinement: 0.2269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No