Information card for entry 1575960

Structure parameters

• Formula: C108 H146 N12 O36 S8
• Calculated formula: C92 H100 N12 O28
• Title of publication: Design and synthesis of macrocycles with tuneable diameters and helical foldamers with customizable peripheral side chains.
• Authors of publication: Farooq, Saquib; Crochet, Aurelien; Kilbinger, Andreas F. M.
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 43
• Pages of publication: 20570 - 20579
• a: 34.872 ± 0.0018 Å
• b: 10.7892 ± 0.0006 Å
• c: 35.963 ± 0.002 Å
• α: 90°
• β: 91.767 ± 0.004°
• γ: 90°
• Cell volume: 13524.3 ± 1.3 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.2111
• Residual factor for significantly intense reflections: 0.1912
• Weighted residual factors for significantly intense reflections: 0.4374
• Weighted residual factors for all reflections included in the refinement: 0.4484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.358
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No