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Information card for entry 7158300
Preview
Coordinates | 7158300.cif |
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Original paper (by DOI) | HTML |
Formula | C29 H24 Br F3 N2 O5 |
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Calculated formula | C29 H24 Br F3 N2 O5 |
Title of publication | Dinuclear zinc-catalyzed enantioselective formal [3 + 2] cycloaddition of <i>N</i>-2,2,2-trifluoroethylisatin ketimines with low reactivity aurone derivatives. |
Authors of publication | Wang, Rui-Li; Jia, Shi-Kun; Guo, Ya-Jun; Yi, Yang; Hua, Yuan-Zhao; Lu, Hui-Jie; Wang, Min-Can |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2021 |
Journal volume | 19 |
Journal issue | 39 |
Pages of publication | 8492 - 8496 |
a | 7.0824 ± 0.0005 Å |
b | 9.9984 ± 0.0008 Å |
c | 11.3089 ± 0.0009 Å |
α | 113.621 ± 0.008° |
β | 101.541 ± 0.007° |
γ | 100.342 ± 0.007° |
Cell volume | 688.15 ± 0.11 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0595 |
Residual factor for significantly intense reflections | 0.0487 |
Weighted residual factors for significantly intense reflections | 0.1188 |
Weighted residual factors for all reflections included in the refinement | 0.1303 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
270502 (current) | 2021-11-06 | cif/ Updating files of 7158300 Original log message: Adding full bibliography for 7158300.cif. |
7158300.cif |
269159 | 2021-09-16 | cif/ Adding structures of 7158300 via cif-deposit CGI script. |
7158300.cif |
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