Information card for entry 1551310

Structure parameters

• Formula: C252.78 H314.78 Cl14.33 N36 O46 Si2
• Calculated formula: C252.808 H156.808 Cl14.424 N36 O46 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: 17.718 ± 0.0006 Å
• b: 18.1791 ± 0.0005 Å
• c: 22.9828 ± 0.0006 Å
• α: 98.564 ± 0.002°
• β: 99.814 ± 0.002°
• γ: 102.609 ± 0.003°
• Cell volume: 6983.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1799
• Residual factor for significantly intense reflections: 0.1523
• Weighted residual factors for significantly intense reflections: 0.3751
• Weighted residual factors for all reflections included in the refinement: 0.3988
• Goodness-of-fit parameter for all reflections included in the refinement: 2.131
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No