Information card for entry 1569203

Structure parameters

• Common name: dyn[4]arene
• Formula: C36 H22 Co N2 O28 S8
• Calculated formula: C36 H22 Co N2 O28 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: 10.644 ± 0.002 Å
• b: 11.901 ± 0.002 Å
• c: 22.63 ± 0.005 Å
• α: 101.4 ± 0.03°
• β: 90.57 ± 0.03°
• γ: 99.4 ± 0.03°
• Cell volume: 2769.7 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.1389
• Residual factor for significantly intense reflections: 0.1353
• Weighted residual factors for significantly intense reflections: 0.4438
• Weighted residual factors for all reflections included in the refinement: 0.4583
• Goodness-of-fit parameter for all reflections included in the refinement: 2.503
• Diffraction radiation wavelength: 0.82655 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No