Information card for entry 1569202

Structure parameters

• Common name: dyn[4]arene
• Formula: C37 H32.5 N2 O17.75 S8
• Calculated formula: C37 H32.5 N2 O17.75 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: 10.7495 ± 0.0018 Å
• b: 11.9064 ± 0.0017 Å
• c: 19.424 ± 0.003 Å
• α: 90°
• β: 98.589 ± 0.014°
• γ: 90°
• Cell volume: 2458.2 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.1547
• Residual factor for significantly intense reflections: 0.0917
• Weighted residual factors for significantly intense reflections: 0.2248
• Weighted residual factors for all reflections included in the refinement: 0.2683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No