Information card for entry 1543528

Structure parameters

• Formula: C8 H14 N2 O3
• Calculated formula: C8 H14 N2 O3
• SMILES: O1CCN(C1=N)C(=O)OC(C)(C)C
• Title of publication: Cationic ring-opening polymerization of protected oxazolidine imines resulting in gradient copolymers of poly(2-oxazoline) and poly(urea)
• Authors of publication: Leiske, Meike N.; Hartlieb, Matthias; Sobotta, Fabian H.; Paulus, Renzo M.; Görls, Helmar; Bellstedt, Peter; Schubert, Ulrich S.
• Journal of publication: Polym. Chem.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 30
• Pages of publication: 4924
• a: 9.7713 ± 0.0007 Å
• b: 9.5154 ± 0.0007 Å
• c: 11.5372 ± 0.0009 Å
• α: 90°
• β: 113.738 ± 0.004°
• γ: 90°
• Cell volume: 981.95 ± 0.13 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 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: 0.0802
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.307
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No