Information card for entry 4127667

Structure parameters

• Formula: C22 H18 N2 O6 S
• Calculated formula: C22 H18 N2 O6 S
• SMILES: S1(=O)(=O)N(c2c3c4c(C(=O)N(C(=O)c4ccc3)CCOC)cc2)C(c2c1cccc2)O
• Title of publication: Dynamic Covalent Switches and Communicating Networks for Tunable Multicolor Luminescent Systems and Vapor-Responsive Materials.
• Authors of publication: Zou, Hanxun; Hai, Yu; Ye, Hebo; You, Lei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 41
• Pages of publication: 16344 - 16353
• a: 7.934 ± 0.009 Å
• b: 8.791 ± 0.011 Å
• c: 15.84 ± 0.02 Å
• α: 83.41 ± 0.06°
• β: 85.5 ± 0.07°
• γ: 64.24 ± 0.04°
• Cell volume: 988 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.2163
• Residual factor for significantly intense reflections: 0.1051
• Weighted residual factors for significantly intense reflections: 0.2036
• Weighted residual factors for all reflections included in the refinement: 0.2649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No