Information card for entry 2239542

Structure parameters

• Chemical name: Diethyl 7,7'-dichloro-4-oxo-4<i>H</i>-[1,4'-biquinoline]-3,3'-dicarboxylate
• Formula: C24 H18 Cl2 N2 O5
• Calculated formula: C24 H18 Cl2 N2 O5
• SMILES: CCOC(=O)c1cn(c2c(cnc3c2ccc(c3)Cl)C(=O)OCC)c2c(c1=O)ccc(c2)Cl
• Title of publication: Diethyl 7,7'-dichloro-4-oxo-4<i>H</i>-[1,4'-biquinoline]-3,3'-dicarboxylate
• Authors of publication: Ishikawa, Yoshinobu; Sugisawa, Yasuhiro
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: o655
• a: 7.631 ± 0.004 Å
• b: 12.416 ± 0.005 Å
• c: 12.461 ± 0.005 Å
• α: 107.99 ± 0.03°
• β: 101.08 ± 0.03°
• γ: 94.77 ± 0.03°
• Cell volume: 1089.1 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.1863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes