Information card for entry 1571549

Structure parameters

• Formula: C13 H23 N O2
• Calculated formula: C13 H23 N O2
• Title of publication: BiTEMPS Methacrylate Dynamic Covalent Cross-linker Providing Rapid Reprocessability and Extrudability of Covalent Adaptable Networks: High-Yield Synthesis with Strong Selectivity for Disulfide Linkages
• Authors of publication: Debsharma, Tapas; Purwanto, Nathan Suryajaya; Fenimore, Logan M.; Mitchell, Sarah; Kennedy, Jayme; Torkelson, John M.
• Journal of publication: Polymer Chemistry
• Year of publication: 2024
• a: 6.2869 ± 0.0001 Å
• b: 9.3906 ± 0.0002 Å
• c: 11.5393 ± 0.0002 Å
• α: 89.579 ± 0.002°
• β: 78.811 ± 0.002°
• γ: 86.145 ± 0.002°
• Cell volume: 666.78 ± 0.02 ų
• Cell temperature: 100.1 ± 0.3 K
• Ambient diffraction temperature: 100.1 ± 0.3 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No