Information card for entry 7159079

Structure parameters

• Formula: C262 H266 Cl24 N40 O42
• Calculated formula: C262 H176 Cl24 N40 O42
• Title of publication: Molecular torsion springs: alteration of helix curvature in frustrated tertiary folds.
• Authors of publication: Menke, Friedericke S.; Mazzier, Daniela; Wicher, Barbara; Allmendinger, Lars; Kauffmann, Brice; Maurizot, Victor; Huc, Ivan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 6
• Pages of publication: 1275 - 1283
• a: 18.218 ± 0.0006 Å
• b: 18.4206 ± 0.0006 Å
• c: 29.4522 ± 0.001 Å
• α: 105.871 ± 0.003°
• β: 95.14 ± 0.003°
• γ: 114.061 ± 0.003°
• Cell volume: 8450.4 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1777
• Residual factor for significantly intense reflections: 0.1624
• Weighted residual factors for significantly intense reflections: 0.4515
• Weighted residual factors for all reflections included in the refinement: 0.4671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.811
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No