Information card for entry 1561944

Structure parameters

• Formula: C88 H96 N8 O11
• Calculated formula: C88 H96 N8 O11
• 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: 24.1177 ± 0.0008 Å
• b: 5.9556 ± 0.0002 Å
• c: 29.0641 ± 0.0009 Å
• α: 90°
• β: 100.642 ± 0.001°
• γ: 90°
• Cell volume: 4102.8 ± 0.2 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 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: 0.0983
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.2096
• Weighted residual factors for all reflections included in the refinement: 0.2314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No