Information card for entry 1569201

Structure parameters

• Common name: Dyn[4]arene
• Formula: C32 H38 O30 S8
• Calculated formula: C32 H38 O30 S8
• Title of publication: Self-assembly of achiral building blocks into chiral cyclophanes using non-directional interactions.
• Authors of publication: Zhang, Yuan; Ourri, Benjamin; Skowron, Pierre-Thomas; Jeamet, Emeric; Chetot, Titouan; Duchamp, Christian; Belenguer, Ana M.; Vanthuyne, Nicolas; Cala, Olivier; Dumont, Elise; Mandal, Pradeep K.; Huc, Ivan; Perret, Florent; Vial, Laurent; Leclaire, Julien
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 26
• Pages of publication: 7126 - 7135
• a: 10.2482 ± 0.0003 Å
• b: 23.7215 ± 0.0005 Å
• c: 11.0876 ± 0.0003 Å
• α: 90°
• β: 115.082 ± 0.003°
• γ: 90°
• Cell volume: 2441.25 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.166
• Weighted residual factors for all reflections included in the refinement: 0.1695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No