Information card for entry 7159791

Structure parameters

• Formula: C58.5 H103 Cl3 N10 O11
• Calculated formula: C58.5 H103 Cl3 N10 O11
• Title of publication: The influence of backbone fluorination on the helicity of α/γ-hybrid peptides
• Authors of publication: Patel, Alpesh Ramanlal; Lawer, Aggie; Bhadbhade, Mohan; Hunter, Luke
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 8
• Pages of publication: 1608 - 1612
• a: 18.8607 ± 0.0006 Å
• b: 10.4771 ± 0.0003 Å
• c: 36.3667 ± 0.0011 Å
• α: 90°
• β: 90.447 ± 0.002°
• γ: 90°
• Cell volume: 7186 ± 0.4 ų
• Cell temperature: 154.56 K
• Ambient diffraction temperature: 154.56 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1191
• Residual factor for significantly intense reflections: 0.0929
• Weighted residual factors for significantly intense reflections: 0.2733
• Weighted residual factors for all reflections included in the refinement: 0.3042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No