Information card for entry 4020496

Structure parameters

• Formula: C54 H84 N12 O12
• Calculated formula: C54 H84 N12 O12
• SMILES: O(C(=O)NN(Cc1cc(OC)ccc1)CC(=O)NN(CC(=O)NN(Cc1cc(OC)ccc1)CC(=O)NN(CC(C)C)CC(=O)NN(CC(=O)NN(CC(C)C)CC(=O)OC)Cc1cc(OC)ccc1)CC(C)C)C(C)(C)C
• Authors of publication: Arnaud Salaün; Michel Potel; Thierry Roisnel; Philippe Gall; Philippe Le Grel
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 6499 - 6502
• a: 12.7343 ± 0.0001 Å
• b: 23.3747 ± 0.0003 Å
• c: 19.9727 ± 0.0003 Å
• α: 90°
• β: 94.989 ± 0.001°
• γ: 90°
• Cell volume: 5922.56 ± 0.13 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No