Information card for entry 7100365

Structure parameters

• Formula: C28 H31 N3 O2
• Calculated formula: C28 H31 N3 O2
• SMILES: O=C1N([C@H]([C@H](N1C(=O)[C@H](NCc1ccccc1)CCc1ccccc1)c1ccccc1)C)C
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 9.5902 ± 0.0003 Å
• b: 10.3216 ± 0.0004 Å
• c: 24.9928 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2473.94 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No