Information card for entry 1571078

Structure parameters

• Formula: C101 H102 B F24 N4 O2 P2
• Calculated formula: C101 H102 B F23.9994 N4 O2 P2
• 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: 12.9969 ± 0.0005 Å
• b: 20.0236 ± 0.0007 Å
• c: 20.1523 ± 0.0007 Å
• α: 106.472 ± 0.002°
• β: 101.18 ± 0.002°
• γ: 96.412 ± 0.002°
• Cell volume: 4855.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 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: 0.1929
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.1776
• Weighted residual factors for all reflections included in the refinement: 0.2327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No