Information card for entry 7123793

Structure parameters

• Formula: C45 H66 Cl2 N10 O20 Zn
• Calculated formula: C45 H66 Cl2 N10 O20 Zn
• Title of publication: Remote conformational responses to enantiomeric excess in carboxylate-binding dynamic foldamers
• Authors of publication: Eccles, Natasha; Le Bailly, Bryden; della Sala, Flavio; Vitorica-Yrzebal, Inigo; Clayden, Jonathan; Webb, Simon
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 9.3605 ± 0.0003 Å
• b: 15.3297 ± 0.0004 Å
• c: 20.4443 ± 0.0006 Å
• α: 102.353 ± 0.002°
• β: 96.569 ± 0.002°
• γ: 100.991 ± 0.002°
• Cell volume: 2776.06 ± 0.15 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0818
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No