Information card for entry 7158453

Structure parameters

• Formula: C48 H73 N7 O9
• Calculated formula: C48 H73 N7 O9
• SMILES: O=C(NC)[C@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CN(CC[C@H]1NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1)C(=O)OC(C)(C)C
• Title of publication: Effect of a <i>cis</i>-4-aminopiperidine-3-carboxylic acid (<i>cis</i>-APiC) residue on mixed-helical folding of unnatural peptides.
• Authors of publication: Choi, Sunglim; Shim, Jihyun; Kang, Philjae; Choi, Soo Hyuk
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• Journal volume: 20
• Journal issue: 3
• Pages of publication: 613 - 618
• a: 43.685 ± 0.009 Å
• b: 10.18 ± 0.002 Å
• c: 12.884 ± 0.003 Å
• α: 90°
• β: 103.5 ± 0.03°
• γ: 90°
• Cell volume: 5571 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No