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Information card for entry 7119444
Preview
Coordinates | 7119444.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H18 F2 N2 O4 |
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Calculated formula | C26 H18 F2 N2 O4 |
SMILES | Fc1ccc(cc1)c1nc2c(c3c1C(N(C3=O)c1ccc(OC)cc1)OC(=O)C)cc(F)cc2 |
Title of publication | Insights into the unexpected chemoselectivity in Brønsted acid catalyzed cyclization of isatins with enaminones: convenient synthesis of pyrrolo[3,4-c]quinolin-1-ones and spirooxindoles |
Authors of publication | Xu, Hui; Zhou, Bei; Zhou, Pan; Zhou, Jie; Shen, Yuehai; Yu, Fu-Chao; Lu, Ling-Ling |
Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
Year of publication | 2016 |
Journal volume | 52 |
Journal issue | 51 |
Pages of publication | 8002 - 8005 |
a | 6.0426 ± 0.001 Å |
b | 12.222 ± 0.002 Å |
c | 15.374 ± 0.003 Å |
α | 78.111 ± 0.002° |
β | 79.431 ± 0.002° |
γ | 87.801 ± 0.002° |
Cell volume | 1092.2 ± 0.3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.1311 |
Residual factor for significantly intense reflections | 0.0556 |
Weighted residual factors for significantly intense reflections | 0.1383 |
Weighted residual factors for all reflections included in the refinement | 0.1826 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.986 |
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/7119444.html
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Users of the data should acknowledge the original authors of the
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