Information card for entry 7246938

Structure parameters

• Formula: C29 H27.7 N2 O10.85 Zn2
• Calculated formula: C29 H27.7 N2 O10.85 Zn2
• Title of publication: Research on single-crystal-to-single-crystal photoaddition and extension of Schmidt's rule in topological chemistry
• Authors of publication: Xiao, Cheng-Yue; Deng, Xi-Ling; Wei, Zan-Bin; Yang, Shi-Yao
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 26
• Pages of publication: 3714 - 3717
• a: 8.717 ± 0.001 Å
• b: 9.9589 ± 0.0012 Å
• c: 19.6815 ± 0.0014 Å
• α: 78.835 ± 0.009°
• β: 84.141 ± 0.009°
• γ: 69.71 ± 0.011°
• Cell volume: 1571.1 ± 0.3 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1166
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.2524
• Weighted residual factors for all reflections included in the refinement: 0.3068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No