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Information card for entry 1516123
Preview
Coordinates | 1516123.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H20 F3 N O2 |
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Calculated formula | C21 H20 F3 N O2 |
SMILES | c1(c(OCCCC)c2c([nH]c1=O)ccc(c2)C)c1ccc(cc1)C(F)(F)F |
Title of publication | Cu(i)-catalyzed chemical fixation of CO2 with 2-alkynylaniline into 4-hydroxyquinolin-2(1H)-one |
Authors of publication | Guo, Chun-Xiao; Zhang, Wen-Zhen; Liu, Si; Lu, Xiao-Bing |
Journal of publication | Catalysis Science & Technology |
Year of publication | 2014 |
Journal volume | 4 |
Journal issue | 6 |
Pages of publication | 1570 |
a | 6.186 ± 0.0005 Å |
b | 9.6029 ± 0.0009 Å |
c | 16.4251 ± 0.0011 Å |
α | 77.495 ± 0.006° |
β | 80.955 ± 0.006° |
γ | 87.557 ± 0.007° |
Cell volume | 940.68 ± 0.14 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 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 | 0.1723 |
Residual factor for significantly intense reflections | 0.0993 |
Weighted residual factors for significantly intense reflections | 0.2961 |
Weighted residual factors for all reflections included in the refinement | 0.3474 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1516123.html
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Users of the data should acknowledge the original authors of the
structural data.