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Information card for entry 4037293
Preview
Coordinates | 4037293.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H14 F3 N O3 |
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Calculated formula | C13 H14 F3 N O3 |
SMILES | FC(F)(F)[C@]1(O)OCCN2[C@@H](c3cc(OC)ccc3)[C@H]12 |
Title of publication | Domino Assembly of Trifluoromethylated N,O-Heterocycles by the Reaction of Fluorinated α-Bromoenones with Amino Alcohols. |
Authors of publication | Rulev, Alexander Yu; Romanov, Alexey R.; Kondrashov, Evgeniy V.; Ushakov, Igor A.; Vashchenko, Alexander V.; Muzalevskiy, Vasiliy M.; Nenajdenko, Valentine G. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 20 |
Pages of publication | 10029 - 10034 |
a | 5.7857 ± 0.0004 Å |
b | 10.2761 ± 0.0006 Å |
c | 22.0932 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1313.54 ± 0.14 Å3 |
Cell temperature | 297.1 K |
Ambient diffraction temperature | 297.1 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0475 |
Residual factor for significantly intense reflections | 0.0366 |
Weighted residual factors for significantly intense reflections | 0.0825 |
Weighted residual factors for all reflections included in the refinement | 0.0867 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
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/4037293.html
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Users of the data should acknowledge the original authors of the
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