Information card for entry 4020272

Structure parameters

• Formula: C27 H26 N2 O3
• Calculated formula: C27 H26 N2 O3
• SMILES: N1(CCc2ccccc2)C(=O)[C@@]2(N(CC3=C(C(=O)C(=C(C)C)[C@@H]23)c2ccccc2)C1=O)C.N1(CCc2ccccc2)C(=O)[C@]2(N(CC3=C(C(=O)C(=C(C)C)[C@H]23)c2ccccc2)C1=O)C
• Authors of publication: Sukhdev Manku; Dennis P. Curran
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 4470 - 4473
• a: 8.1512 ± 0.0007 Å
• b: 11.4529 ± 0.001 Å
• c: 12.7178 ± 0.0011 Å
• α: 88.247 ± 0.002°
• β: 78.609 ± 0.002°
• γ: 76.132 ± 0.002°
• Cell volume: 1129.78 ± 0.17 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No