Information card for entry 4038229

Structure parameters

• Formula: C17 H21 N2 O2 S
• Calculated formula: C17 H21 N2 O2 S
• 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: 7.0032 ± 0.0002 Å
• b: 10.8265 ± 0.0002 Å
• c: 11.8966 ± 0.0002 Å
• α: 101.805 ± 0.002°
• β: 104.363 ± 0.002°
• γ: 100.367 ± 0.002°
• Cell volume: 829.63 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0615
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1592
• Weighted residual factors for all reflections included in the refinement: 0.1654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No