Information card for entry 1545167

Structure parameters

• Formula: C25 H22.5 N6 O6.25
• Calculated formula: C25 H22.5 N6 O6.25
• SMILES: O.O=N(=O)c1cccc2c1nc(cc2)/C=N/NC(=O)c1nc2c(c(OCC(C)C)c1)c(N(=O)=O)ccc2C
• Title of publication: A folding-directed catalytic microenvironment in helical dynamic covalent polymers formed by spontaneous configuration control
• Authors of publication: Li, Wenfang; Zhang, Chenyang; Qi, Shuaiwei; Deng, Xiaoli; Wang, Wei; Yang, Bing; Liu, Junqiu; Dong, Zeyuan
• Journal of publication: Polym. Chem.
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 8
• Pages of publication: 1294
• a: 14.144 ± 0.003 Å
• b: 12.445 ± 0.003 Å
• c: 14.545 ± 0.003 Å
• α: 90°
• β: 91.32 ± 0.03°
• γ: 90°
• Cell volume: 2559.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1561
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.2281
• Weighted residual factors for all reflections included in the refinement: 0.2663
• Goodness-of-fit parameter for all reflections included in the refinement: 0.817
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No