Information card for entry 1553227

Structure parameters

• Formula: C24 H14 Cl2 N2 O2
• Calculated formula: C24 H14 Cl2 N2 O2
• SMILES: Clc1ccc(N2c3ccccc3c3n(c(cc3C2=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: 6.3775 ± 0.0005 Å
• b: 12.1686 ± 0.001 Å
• c: 13.4121 ± 0.0008 Å
• α: 80.819 ± 0.006°
• β: 88.955 ± 0.005°
• γ: 75.537 ± 0.007°
• Cell volume: 994.7 ± 0.13 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: 0.0623
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No