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Information card for entry 7154596
Preview
Coordinates | 7154596.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H15 F N2 O3 |
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Calculated formula | C24 H15 F N2 O3 |
SMILES | F[C@]1([C@]2(O)c3nc4ccccc4c(=O)n3c3c2cccc3)Cc2ccccc2C1=O.F[C@@]1([C@@]2(O)c3nc4ccccc4c(=O)n3c3c2cccc3)Cc2ccccc2C1=O |
Title of publication | An efficient catalyst-free Mukaiyama-aldol reaction of fluorinated enol silyl ethers with tryptanthrin. |
Authors of publication | Liao, Fu-Min; Liu, Yun-Lin; Yu, Jin-Sheng; Zhou, Feng; Zhou, Jian |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2015 |
Journal volume | 13 |
Journal issue | 33 |
Pages of publication | 8906 - 8911 |
a | 11.1245 ± 0.001 Å |
b | 11.5825 ± 0.0011 Å |
c | 14.9885 ± 0.0014 Å |
α | 90° |
β | 107.083 ± 0.003° |
γ | 90° |
Cell volume | 1846.1 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0844 |
Residual factor for significantly intense reflections | 0.0412 |
Weighted residual factors for significantly intense reflections | 0.0819 |
Weighted residual factors for all reflections included in the refinement | 0.1011 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
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/7154596.html
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