Information card for entry 4127703

Structure parameters

• Formula: C23 H30 N4 O6 S2
• Calculated formula: C23 H30 N4 O6 S2
• Title of publication: Radical Ring-Closing/Ring-Opening Cascade Polymerization.
• Authors of publication: Huang, Hanchu; Wang, Wenqi; Zhou, Zefeng; Sun, Bohan; An, Meirui; Haeffner, Fredrik; Niu, Jia
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 32
• Pages of publication: 12493 - 12497
• a: 12.3464 ± 0.0006 Å
• b: 23.8926 ± 0.0011 Å
• c: 10.3661 ± 0.0005 Å
• α: 90°
• β: 109.61 ± 0.003°
• γ: 90°
• Cell volume: 2880.5 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1592
• Weighted residual factors for all reflections included in the refinement: 0.1709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No