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Information card for entry 7157391
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Coordinates | 7157391.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | trifluoro-4-terc-butilamio-3-buten-2-ona |
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Chemical name | 1-(4-bromophenyl)-2-((tert-butylamino)methylene)-4,4,4-trifluorobutane-1,3-dione |
Formula | C15 H15 Br F3 N O2 |
Calculated formula | C15 H15 Br F3 N O2 |
Title of publication | 1,2-Addition to trifluoromethylated β-enamino diketones: regioselective synthesis of trifluoromethyl-containing azomethine pyrazoles and isoxazoles. |
Authors of publication | Pianoski, Karlos Eduardo; Poletto, Julia; Vieira da Silva, Michael Jackson; Ascencio Camargo, Jeniffer Nascimento; Jacomini, Andrey Petita; Gonçalves, Davana Silva; Back, Davi Fernando; Moura, Sidnei; Rosa, Fernanda Andreia |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2020 |
Journal volume | 18 |
Journal issue | 13 |
Pages of publication | 2524 - 2537 |
a | 16.298 ± 0.01 Å |
b | 8.588 ± 0.006 Å |
c | 12.152 ± 0.008 Å |
α | 90° |
β | 103.311 ± 0.017° |
γ | 90° |
Cell volume | 1655.2 ± 1.9 Å3 |
Cell temperature | 297 ± 2 K |
Ambient diffraction temperature | 297 ± 2 K |
Number of distinct elements | 6 |
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 | 0.2237 |
Residual factor for significantly intense reflections | 0.0693 |
Weighted residual factors for significantly intense reflections | 0.1178 |
Weighted residual factors for all reflections included in the refinement | 0.1782 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.893 |
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/7157391.html
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