Information card for entry 4100460

Structure parameters

• Formula: C30 H27 N3 O4
• Calculated formula: C30 H27 N3 O4
• SMILES: O(c1ccccc1)C(=O)c1ccc(N(C)C(=O)c2ccc(N(C)C(=O)c3ccc(NC)cc3)cc2)cc1
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 9.921 ± 0.003 Å
• b: 18.683 ± 0.003 Å
• c: 14.218 ± 0.003 Å
• α: 90°
• β: 101.4 ± 0.02°
• γ: 90°
• Cell volume: 2583.3 ± 1 ų
• Cell temperature: 296.2 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