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Information card for entry 7158456
Preview
Coordinates | 7158456.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H23 F3 N O3.5 S2 |
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Calculated formula | C25 H23 F3 N O3.5 S2 |
Title of publication | Microwave-assisted palladium catalysed C-H acylation with aldehydes: synthesis and diversification of 3-acylthiophenes. |
Authors of publication | Santiago, Carlos; Jiménez-Aberasturi, Xabier; Leicea, Eztizen; Lete, Marta G.; Sotomayor, Nuria; Lete, Esther |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2022 |
Journal volume | 20 |
Journal issue | 4 |
Pages of publication | 852 - 861 |
a | 9.1139 ± 0.001 Å |
b | 11.7059 ± 0.0012 Å |
c | 12.6851 ± 0.0014 Å |
α | 109.356 ± 0.009° |
β | 100.318 ± 0.009° |
γ | 106.611 ± 0.009° |
Cell volume | 1166.1 ± 0.3 Å3 |
Cell temperature | 150.01 ± 0.1 K |
Ambient diffraction temperature | 150.01 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1205 |
Residual factor for significantly intense reflections | 0.0679 |
Weighted residual factors for significantly intense reflections | 0.1186 |
Weighted residual factors for all reflections included in the refinement | 0.1502 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7158456.html
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Users of the data should acknowledge the original authors of the
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