Information card for entry 4038268

Structure parameters

• Formula: C33 H51 Cl3 N8 O7
• Calculated formula: C33 H51 Cl3 N8 O7
• Title of publication: Local versus Global Control of Helical Folding in β-Peptide Segments Using Hydrazino Turns.
• Authors of publication: Imani, Zeynab; Guillot, Régis; Declerck, Valérie; Aitken, David J.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• Journal volume: 85
• Journal issue: 9
• Pages of publication: 6165 - 6171
• a: 9.5008 ± 0.0003 Å
• b: 19.9938 ± 0.0007 Å
• c: 10.2841 ± 0.0004 Å
• α: 90°
• β: 90.605 ± 0.002°
• γ: 90°
• Cell volume: 1953.43 ± 0.12 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0453
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No