Information card for entry 1575938

Structure parameters

• Formula: C89.5 H101.5 O9.25
• Calculated formula: C82 H84 O8
• Title of publication: Macrocycle formation-mediated augmentation in reactive oxygen species production.
• Authors of publication: Liu, Ao; Xin, Youtao; Zhu, Yong-Kang; Jin, Yuan-Hang; Yang, Yue; Chen, Hongzhu; Li, Meng-Hao; Lou, Xin-Yue; Wang, Xin; Gao, Hui; Yang, Ying-Wei
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 44
• Pages of publication: 20968 - 20977
• a: 14.788 ± 0.003 Å
• b: 14.851 ± 0.003 Å
• c: 21.736 ± 0.004 Å
• α: 93.26 ± 0.005°
• β: 106.45 ± 0.005°
• γ: 118.165 ± 0.005°
• Cell volume: 3932.3 ± 1.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2302
• Residual factor for significantly intense reflections: 0.1416
• Weighted residual factors for significantly intense reflections: 0.3471
• Weighted residual factors for all reflections included in the refinement: 0.4308
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No