Information card for entry 1569204

Structure parameters

• Formula: C192 H96 O64 S16
• Calculated formula: C192 H96 O64 S16
• SMILES: c12c3c([C@H]4[C@H]5[C@@H]([C@@H]3C4)C(=C5C(=O)O)C(=O)O)c(c3c2[C@H]2[C@H]4[C@@H]([C@@H]3C2)C(=C4C(=O)O)C(=O)O)SSc2c3c(c(SSc4c5c(c(SSc6c7c(c(c8c6[C@@H]6[C@@H]9[C@H]([C@H]8C6)C(=C9C(=O)O)C(=O)O)SSc6c8c(c(c9c6[C@H]6[C@H]%10[C@@H]([C@@H]9C6)C(=C%10C(=O)O)C(=O)O)SSc6c9c(c(SSc%10c%11c(c(SSc%12c%13c(c(c%14c%12[C@@H]%12[C@@H]%15[C@H]([C@H]%14C%12)C(=C%15C(=O)O)C(=O)O)SS1)[C@@H]1[C@@H]%12[C@H]([C@H]%13C1)C(=C%12C(=O)O)C(=O)O)c1c%10[C@H]%10[C@H]%12[C@@H]([C@@H]1C%10)C(=C%12C(=O)O)C(=O)O)[C@H]1[C@H]%10[C@@H]([C@@H]%11C1)C(=C%10C(=O)O)C(=O)O)c1c6[C@@H]6[C@@H]%10[C@H]([C@H]1C6)C(=C%10C(=O)O)C(=O)O)[C@@H]1[C@@H]6[C@H]([C@H]9C1)C(=C6C(=O)O)C(=O)O)[C@H]1[C@H]6[C@@H]([C@@H]8C1)C(=C6C(=O)O)C(=O)O)[C@@H]1[C@@H]6[C@H]([C@H]7C1)C(=C6C(=O)O)C(=O)O)c1c4[C@H]4[C@H]6[C@@H]([C@@H]1C4)C(=C6C(=O)O)C(=O)O)[C@H]1[C@H]4[C@@H]([C@@H]5C1)C(=C4C(=O)O)C(=O)O)c1c2[C@H]2[C@H]4[C@@H]([C@@H]1C2)C(=C4C(=O)O)C(=O)O)[C@H]1[C@H]2[C@@H]([C@@H]3C1)C(=C2C(=O)O)C(=O)O
• 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: 49.4947 ± 0.0007 Å
• b: 49.4947 ± 0.0007 Å
• c: 35.6973 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 75732.7 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 177
• Hermann-Mauguin space group symbol: P 6 2 2
• Hall space group symbol: P 6 2
• Residual factor for all reflections: 0.1871
• Residual factor for significantly intense reflections: 0.1083
• Weighted residual factors for significantly intense reflections: 0.274
• Weighted residual factors for all reflections included in the refinement: 0.3616
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.97625 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No