Information card for entry 1549875

Structure parameters

• Formula: C24 H22 Cl N O6
• Calculated formula: C24 H22 Cl N O6
• SMILES: ClCCN(C(=O)C12C3C4C1C1C2C3C41C(=O)OC)C(=O)C12C3C4C1C1C2C3C41C(=O)OC
• Title of publication: Poly(2-oxazoline)s with pendant cubane groups
• Authors of publication: Glassner, Mathias; Verbraeken, Bart; Jerca, Valentin Victor; Van Hecke, Kristof; Tsanaktsidis, John; Hoogenboom, Richard
• Journal of publication: Polymer Chemistry
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 39
• Pages of publication: 4840
• a: 5.33701 ± 0.0001 Å
• b: 17.9259 ± 0.0003 Å
• c: 21.5579 ± 0.0004 Å
• α: 90°
• β: 92.9404 ± 0.0017°
• γ: 90°
• Cell volume: 2059.74 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0703
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No