Information card for entry 4038236

Structure parameters

• Formula: C27 H28 N2 O4 S4
• Calculated formula: C27 H28 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: 16.76 ± 0.005 Å
• b: 25.156 ± 0.011 Å
• c: 6.3059 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2658.7 ± 1.5 ų
• Cell temperature: 301.45 ± 0.1 K
• Ambient diffraction temperature: 301.45 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.1394
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.2057
• Weighted residual factors for all reflections included in the refinement: 0.2595
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9728
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No