Information card for entry 4106550

Structure parameters

• Formula: C19 H27 Cl N2 O2
• Calculated formula: C19 H27 Cl N2 O2
• SMILES: [Cl-].O(C1=CC(=O)N([C@H]1Cc1ccccc1)[C@H]1CC[NH2+]C1)C(C)(C)C
• Title of publication: Pyrrolinone-Pyrrolidine Oligomers as Universal Peptidomimetics
• Authors of publication: Arjun Raghuraman; Eunhwa Ko; Lisa M. Perez; Thomas R. Ioerger; Kevin Burgess
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 12350 - 12353
• a: 11.8906 ± 0.0006 Å
• b: 5.7704 ± 0.0003 Å
• c: 13.5908 ± 0.0007 Å
• α: 90°
• β: 106.185 ± 0.004°
• γ: 90°
• Cell volume: 895.55 ± 0.08 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0723
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1608
• Weighted residual factors for all reflections included in the refinement: 0.1691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No