Information card for entry 1553228

Structure parameters

• Formula: C24 H14 Cl2 N2 O2
• Calculated formula: C24 H14 Cl2 N2 O2
• SMILES: Clc1ccc(N2c3ccccc3c3n(cc(c3C2=O)C=O)c2ccc(Cl)cc2)cc1
• Title of publication: Copper(i) catalyzed C(sp2)–N bond formation: synthesis of pyrrolo[3,2-c]quinolinone derivatives
• Authors of publication: Zhang, Zhiguo; Qian, Jingjing; Zhang, Guisheng; Ma, Nana; Liu, Qingfeng; Liu, Tongxin; Sun, Kai; Shi, Lei
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 3
• Pages of publication: 344
• a: 5.2005 ± 0.0005 Å
• b: 13.556 ± 0.003 Å
• c: 15.6215 ± 0.0013 Å
• α: 73.584 ± 0.012°
• β: 85.49 ± 0.008°
• γ: 87.12 ± 0.012°
• Cell volume: 1052.7 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 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 all reflections: 0.1141
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1908
• Weighted residual factors for all reflections included in the refinement: 0.2294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No