Information card for entry 1560370

Structure parameters

• Formula: C22 H20 N2 O9
• Calculated formula: C22 H20 N2 O9
• SMILES: O(C(=O)c1ccc(N(=O)=O)cc1)C[C@@H]1[C@@H]([C@@H]2CCO[C@H]12)COC(=O)c1ccc(N(=O)=O)cc1
• Title of publication: Mechanochemical generation of acid-degradable poly(enol ether)s
• Authors of publication: Yang, Jinghui; Xia, Yan
• Journal of publication: Chemical Science
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 4389 - 4394
• a: 6.8601 ± 0.0004 Å
• b: 20.5081 ± 0.0011 Å
• c: 7.345 ± 0.0004 Å
• α: 90°
• β: 92.708 ± 0.001°
• γ: 90°
• Cell volume: 1032.2 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No