Information card for entry 4038237

Structure parameters

• Formula: C19 H20 N2 O4 S4
• Calculated formula: C19 H20 N2 O4 S4
• Title of publication: Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.
• Authors of publication: Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• Journal volume: 85
• Journal issue: 8
• Pages of publication: 5351 - 5361
• a: 11.2696 ± 0.0002 Å
• b: 11.1966 ± 0.0002 Å
• c: 16.4635 ± 0.0003 Å
• α: 90°
• β: 96.598 ± 0.002°
• γ: 90°
• Cell volume: 2063.63 ± 0.06 ų
• Cell temperature: 298.89 ± 0.1 K
• Ambient diffraction temperature: 298.89 ± 0.1 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: 0.0442
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No