Information card for entry 7158452

Structure parameters

• Formula: C36 H55 Cl3 N6 O10 S
• Calculated formula: C36 H55 Cl3 N6 O10 S
• 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: 9.6129 ± 0.0008 Å
• b: 16.6129 ± 0.0006 Å
• c: 27.4345 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4381.2 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1044
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.1602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No