Information card for entry 7133375

Structure parameters

• Chemical name: foldax
• Formula: C314 H312 Cl3 F10 N49 O47
• Calculated formula: C314 H312 Cl3 F10 N49 O47
• Title of publication: Photon-gated foldaxane assembly/disassembly.
• Authors of publication: Yao, Chenhao; Gole, Bappaditya; Bui, Anh Thy; Kauffmann, Brice; Huc, Ivan; McClenaghan, Nathan D.; Ferrand, Yann
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 64
• Pages of publication: 8415 - 8418
• a: 23.7615 ± 0.0004 Å
• b: 24.0825 ± 0.0004 Å
• c: 35.9358 ± 0.0006 Å
• α: 101.204 ± 0.0015°
• β: 91.4858 ± 0.0014°
• γ: 111.906 ± 0.0018°
• Cell volume: 18605.5 ± 0.6 ų
• Cell temperature: 135 K
• Ambient diffraction temperature: 135 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: 0.1303
• Residual factor for significantly intense reflections: 0.1015
• Weighted residual factors for significantly intense reflections: 0.3192
• Weighted residual factors for all reflections included in the refinement: 0.351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.313
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No