Information card for entry 1551311

Structure parameters

• Formula: C262.51 H343.02 N40 O52 Si2
• Calculated formula: C263.042 H94 N40 O60 Si2
• Title of publication: Interplay of secondary and tertiary folding in abiotic foldamers
• Authors of publication: Mazzier, Daniela; De, Soumen; Wicher, Barbara; Maurizot, Victor; Huc, Ivan
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 16.1473 ± 0.0003 Å
• b: 36.4163 ± 0.0007 Å
• c: 26.28 ± 0.0005 Å
• α: 90°
• β: 106.983 ± 0.002°
• γ: 90°
• Cell volume: 14779.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.2658
• Residual factor for significantly intense reflections: 0.2411
• Weighted residual factors for significantly intense reflections: 0.6025
• Weighted residual factors for all reflections included in the refinement: 0.6246
• Goodness-of-fit parameter for all reflections included in the refinement: 2.712
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No