Information card for entry 7246937

Structure parameters

• Formula: C29 H29.8 N2 O11.9 Zn2
• Calculated formula: C29 H29.8 N2 O11.9 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: 9.351 ± 0.0002 Å
• b: 9.9976 ± 0.0002 Å
• c: 18.0428 ± 0.0004 Å
• α: 80.1 ± 0.002°
• β: 87.289 ± 0.002°
• γ: 67.583 ± 0.002°
• Cell volume: 1535.78 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.0579
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No