Information card for entry 7101034

Structure parameters

• Formula: C34 H52 N10 O12
• Calculated formula: C34 H52 N10 O12
• SMILES: Cc1cc(=O)nc([nH]1)NC(=O)NCCCCCCNC(=O)O[C@@H](C(=O)OCC)[C@H](C(=O)OCC)OC(=O)NCCCCCCNC(=O)Nc1[nH]c(cc(=O)n1)C.Cc1cc(=O)nc([nH]1)NC(=O)NCCCCCCNC(=O)O[C@H](C(=O)OCC)[C@@H](C(=O)OCC)OC(=O)NCCCCCCNC(=O)Nc1[nH]c(cc(=O)n1)C
• Title of publication: Highly Stable Cyclic Dimers Based on Noncovalent Interactions
• Authors of publication: H. Hailes; Abil Aliev; Peter N. Horton; M. Hursthouse; Valerie G. H. Lafitte
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 20.776 ± 0.005 Å
• b: 21.001 ± 0.007 Å
• c: 19.8 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8639 ± 4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No