Information card for entry 1571076

Structure parameters

• Formula: C71 H93 N5 O2 P2
• Calculated formula: C71 H93 N5 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: 30.4484 ± 0.0002 Å
• b: 15.1788 ± 0.0001 Å
• c: 14.0258 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6482.31 ± 0.08 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No