Information card for entry 1549078

Structure parameters

• Formula: C36 H26 N2 O2
• Calculated formula: C36 H26 N2 O2
• SMILES: n1ccc(cc1)c1ccc(C(=C(c2ccc(O)cc2)c2ccc(O)cc2)c2ccc(c3ccncc3)cc2)cc1
• Title of publication: Cross-linked AIE supramolecular polymer gels with multiple stimuli-responsive behaviours constructed by hierarchical self-assembly
• Authors of publication: Zhang, Chang-Wei; Ou, Bo; Jiang, Shu-Ting; Yin, Guang-Qiang; Chen, Li-Jun; Xu, Lin; Li, Xiaopeng; Yang, Hai-Bo
• Journal of publication: Polymer Chemistry
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 15
• Pages of publication: 2021
• a: 29.8205 ± 0.0005 Å
• b: 8.8627 ± 0.0002 Å
• c: 25.1375 ± 0.0004 Å
• α: 90°
• β: 110.05 ± 0.001°
• γ: 90°
• Cell volume: 6241 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No