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Information card for entry 7128944
Preview
Coordinates | 7128944.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H15 Br O5 |
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Calculated formula | C19 H15 Br O5 |
Title of publication | NHC-catalyzed enantioselective C2-functionalization of 3-hydroxychromenones <i>via</i> α,β-unsaturated acyl azoliums. |
Authors of publication | Dzieszkowski, Krzysztof; Słotwiński, Michał; Rafińska, Katarzyna; Muzioł, Tadeusz M; Rafiński, Zbigniew |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2021 |
Journal volume | 57 |
Journal issue | 78 |
Pages of publication | 9999 - 10002 |
a | 17.401 ± 0.008 Å |
b | 5.9984 ± 0.0013 Å |
c | 18.889 ± 0.006 Å |
α | 90° |
β | 115.06 ± 0.05° |
γ | 90° |
Cell volume | 1786 ± 1.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.1233 |
Residual factor for significantly intense reflections | 0.0551 |
Weighted residual factors for significantly intense reflections | 0.1122 |
Weighted residual factors for all reflections included in the refinement | 0.1451 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
269602 (current) | 2021-10-06 | cif/ Updating files of 7128944 Original log message: Adding full bibliography for 7128944.cif. |
7128944.cif |
269035 | 2021-09-08 | cif/ Adding structures of 7128944 via cif-deposit CGI script. |
7128944.cif |
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Users of the data should acknowledge the original authors of the
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