Information card for entry 7154905

Structure parameters

• Formula: C25 H17 Cl5 N2 O2
• Calculated formula: C25 H17 Cl5 N2 O2
• SMILES: Clc1c2c3C(=O)N(Cc3c(nc2cc(Cl)c1)c1ccccc1)c1ccc(OC)cc1.ClC(Cl)Cl
• Title of publication: Gold-catalyzed chemo- and diastereoselective C(sp(2))-H functionalization of enaminones for the synthesis of pyrrolo[3,4-c]-quinolin-1-one derivatives.
• Authors of publication: Zhao, Yulei; Duan, Qizhao; Zhou, Yuanyuan; Yao, Qiyi; Li, Yanzhong
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 7
• Pages of publication: 2177 - 2181
• a: 7.0166 ± 0.0005 Å
• b: 13.28 ± 0.0009 Å
• c: 13.9998 ± 0.001 Å
• α: 66.514 ± 0.001°
• β: 85.309 ± 0.001°
• γ: 89.301 ± 0.001°
• Cell volume: 1192.13 ± 0.15 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 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: 0.0681
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No