Information card for entry 1553226

Structure parameters

• Formula: C23 H14 Cl2 N2 O
• Calculated formula: C23 H14 Cl2 N2 O
• SMILES: Clc1ccc(n2ccc3C(=O)N(c4c(cccc4)c23)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: 8.9936 ± 0.0003 Å
• b: 20.9137 ± 0.0005 Å
• c: 10.6975 ± 0.0004 Å
• α: 90°
• β: 112.585 ± 0.004°
• γ: 90°
• Cell volume: 1857.78 ± 0.12 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No