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Information card for entry 7219534
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Coordinates | 7219534.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 2q |
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Chemical name | ethyl 2-((4-chloro-2-((4-fluorophenyl)ethynyl)phenyl)amino)-2-oxoacetate |
Formula | C18 H13 Cl F N O3 |
Calculated formula | C18 H13 Cl F N O3 |
SMILES | Clc1cc(C#Cc2ccc(F)cc2)c(NC(=O)C(=O)OCC)cc1 |
Title of publication | TBHP mediated oxidation of N-2-alkynylphenyl α-amino carbonyl compounds to oxalic amides using visible light photoredox catalysis and their application in the synthesis of 2-aryl indoles |
Authors of publication | Liu, Wei; Liu, Sheng; Xie, Hongqi; Qing, Zhixing; Zeng, Jianguo; Cheng, Pi |
Journal of publication | RSC Adv. |
Year of publication | 2015 |
Journal volume | 5 |
Journal issue | 23 |
Pages of publication | 17383 |
a | 14.191 ± 0.002 Å |
b | 4.4973 ± 0.0007 Å |
c | 25.988 ± 0.004 Å |
α | 90° |
β | 95.57 ± 0.002° |
γ | 90° |
Cell volume | 1650.8 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0986 |
Residual factor for significantly intense reflections | 0.0596 |
Weighted residual factors for significantly intense reflections | 0.1059 |
Weighted residual factors for all reflections included in the refinement | 0.1197 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7219534.html
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