Information card for entry 1571075

Structure parameters

• Formula: C72 H97 N4 O2 P2
• Calculated formula: C72 H97 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: 12.3363 ± 0.0001 Å
• b: 22.0219 ± 0.0002 Å
• c: 24.3308 ± 0.0003 Å
• α: 90°
• β: 96.052 ± 0.001°
• γ: 90°
• Cell volume: 6573.08 ± 0.11 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1624
• Weighted residual factors for all reflections included in the refinement: 0.1688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No