Information card for entry 1561943

Structure parameters

• Formula: C46 H52 N4 O6
• Calculated formula: C46 H52 N4 O6
• SMILES: C1(=O)c2c(ccc(c2)C(=C(\c2cc3C(=O)N(C(=O)[nH]c3cc2)C(C)(C)C)c2ccccc2)/c2ccccc2)[nH]C(=O)N1C(C)(C)C.O1CCCC1.O1CCCC1
• Title of publication: CO2-Involved and Isocyanide-Based Three-Component Polymerization toward Functional Heterocyclic Polymers with Self-Assembly and Sensing Properties
• Authors of publication: Liu, Dongming; Song, Bo; Wang, Jia; Li, Baoxi; Wang, Bingnan; Li, Mingzhao; Qin, Anjun; Tang, Ben Zhong
• Journal of publication: Macromolecules
• Year of publication: 2021
• a: 21.6002 ± 0.0005 Å
• b: 13.9128 ± 0.0003 Å
• c: 15.8199 ± 0.0006 Å
• α: 90°
• β: 120.926 ± 0.001°
• γ: 90°
• Cell volume: 4078.3 ± 0.2 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No