Information card for entry 1557360

Structure parameters

• Formula: C8 H14 N2 O4
• Calculated formula: C8 H14 N2 O4
• SMILES: C(CN1C(=O)CN(CCO)C(=O)C1)O
• Title of publication: Synthesis and mechanistic investigations of pH-responsive cationic poly(aminoester)s
• Authors of publication: Blake, Timothy R.; Ho, Wilson C.; Turlington, Christopher R.; Zang, Xiaoyu; Huttner, Melanie A.; Wender, Paul A.; Waymouth, Robert M.
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 11
• Pages of publication: 2951 - 2966
• a: 5.6483 ± 0.0005 Å
• b: 9.0345 ± 0.0007 Å
• c: 9.1851 ± 0.0009 Å
• α: 90°
• β: 103.599 ± 0.004°
• γ: 90°
• Cell volume: 455.57 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0376
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No