Information card for entry 2100129

Structure parameters

• Formula: C27 H30 N8 O4
• Calculated formula: C27 H30 N8 O4
• SMILES: O=C1N(C(=O)c2[nH]c(nc2N1CC=C)c1n(nc(OCC(=O)N2CCN(CC2)c2ccccc2)c1)C)CC=C
• Journal of publication: Acta Crystallographica, Section B
• Year of publication: 2005
• Journal volume: 61
• Pages of publication: 569 - 576
• a: 8.7035 ± 0.0002 Å
• b: 12.496 ± 0.0003 Å
• c: 13.7034 ± 0.0003 Å
• α: 63.416 ± 0.001°
• β: 89.997 ± 0.001°
• γ: 78.22 ± 0.0009°
• Cell volume: 1297.62 ± 0.05 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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