Information card for entry 7119040

Structure parameters

• Formula: C31 H52 Cl3 N5 O8
• Calculated formula: C31 H52 Cl3 N5 O8
• Title of publication: Stabilization of 11/9-helical alpha/beta-peptide foldamers in protic solvents
• Authors of publication: Mihye Lee; Jihyun Shim; Philjae Kang; Moon-Gun Choi; Soo Hyuk Choi
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 5950
• a: 9.5052 ± 0.0017 Å
• b: 17.583 ± 0.003 Å
• c: 23.471 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3922.7 ± 1.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0711
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1889
• Weighted residual factors for all reflections included in the refinement: 0.1943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No