Information card for entry 1553229

Structure parameters

• Formula: C24 H17 Cl N2 O2
• Calculated formula: C24 H17 Cl N2 O2
• SMILES: Clc1ccc(n2ccc3C(=O)N(c4c(c23)cc(OC)cc4)c2ccccc2)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: 8.0462 ± 0.0005 Å
• b: 9.2337 ± 0.0006 Å
• c: 26.6656 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1981.2 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No