Information card for entry 7159080

Structure parameters

• Formula: C245.7 H233.7 Cl23.69 N40 O42
• Calculated formula: C245.036 H139.696 Cl23.696 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: 25.12 ± 0.005 Å
• b: 27.45 ± 0.006 Å
• c: 40.02 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 27596 ± 10 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1606
• Residual factor for significantly intense reflections: 0.1596
• Weighted residual factors for significantly intense reflections: 0.544
• Weighted residual factors for all reflections included in the refinement: 0.548
• Goodness-of-fit parameter for all reflections included in the refinement: 3.204
• Diffraction radiation wavelength: 0.81 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No