Information card for entry 2000502

Structure parameters

• Formula: C26 H24 N4 O4
• Calculated formula: C26 H23 N4 O4
• SMILES: O(c1cc2cccnc2cc1)c1cc2cccnc2cc1.O=C1NC(=O)NC(=O)C1(CC)CC
• Title of publication: Structure of the 1:1 complex of 6,6'-diquinolyl ether with 5,5-diethylbarbituric acid
• Authors of publication: Liu, H.; Wang, X.; Zhang, X.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 11
• Pages of publication: 2096 - 2098
• a: 24.565 ± 0.002 Å
• b: 17.75 ± 0.002 Å
• c: 10.959 ± 0.003 Å
• α: 90°
• β: 105.24 ± 0.03°
• γ: 90°
• Cell volume: 4610.4 ± 1.6 ų
• Cell temperature: 294 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.047
• Goodness-of-fit parameter for significantly intense reflections: 3.75
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No