Information card for entry 4106549

Structure parameters

• Formula: C25 H33 Cl N2 O4
• Calculated formula: C25 H33 Cl N2 O4
• SMILES: [Cl-].O(Cc1ccccc1)C(=O)N1CC[C@H]([NH2+][C@H](C(=O)OC(C)(C)C)Cc2ccccc2)C1
• 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: 5.4168 ± 0.0008 Å
• b: 9.594 ± 0.0015 Å
• c: 23.395 ± 0.004 Å
• α: 90°
• β: 93.42 ± 0.011°
• γ: 90°
• Cell volume: 1213.6 ± 0.3 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: 0.0865
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No