Information card for entry 1505674

Structure parameters

• Formula: C17 H21 N O6
• Calculated formula: C17 H21 N O6
• SMILES: C[C@@H]1OC(=O)[C@@H](OC1=O)CCCCNC(=O)OCc1ccccc1
• Title of publication: Functional lactide monomers: methodology and polymerization.
• Authors of publication: Gerhardt, Warren W.; Noga, David E.; Hardcastle, Kenneth I.; García, Andrés J; Collard, David M.; Weck, Marcus
• Journal of publication: Biomacromolecules
• Year of publication: 2006
• Journal volume: 7
• Journal issue: 6
• Pages of publication: 1735 - 1742
• a: 4.95 ± 0.001 Å
• b: 5.1931 ± 0.0009 Å
• c: 33.2 ± 0.007 Å
• α: 91.997 ± 0.01°
• β: 92.826 ± 0.011°
• γ: 90.042 ± 0.013°
• Cell volume: 851.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.1973
• Weighted residual factors for all reflections included in the refinement: 0.2059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No