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Information card for entry 7128819
Preview
Coordinates | 7128819.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H26 Br N3 O7 |
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Calculated formula | C26 H26 Br N3 O7 |
Title of publication | Diastereoselective trifunctionalization of pyridinium salts to access structurally crowded azaheteropolycycles. |
Authors of publication | Cui, Zhaohui; Zhang, Kuan; Gu, Lijie; Bu, Zhanwei; Zhao, Junwei; Wang, Qilin |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2021 |
Journal volume | 57 |
Journal issue | 74 |
Pages of publication | 9402 - 9405 |
a | 11.194 ± 0.005 Å |
b | 12.288 ± 0.003 Å |
c | 18.063 ± 0.006 Å |
α | 90° |
β | 95.088 ± 0.014° |
γ | 90° |
Cell volume | 2474.8 ± 1.5 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 149.99 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0356 |
Residual factor for significantly intense reflections | 0.0263 |
Weighted residual factors for significantly intense reflections | 0.0566 |
Weighted residual factors for all reflections included in the refinement | 0.0603 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
269651 (current) | 2021-10-06 | cif/ Updating files of 7128819, 7128820, 7128821, 7128822 Original log message: Adding full bibliography for 7128819--7128822.cif. |
7128819.cif |
268087 | 2021-08-17 | cif/ Adding structures of 7128819, 7128820, 7128821, 7128822 via cif-deposit CGI script. |
7128819.cif |
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Users of the data should acknowledge the original authors of the
structural data.