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Information card for entry 7160165
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Coordinates | 7160165.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H15 N O4 |
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Calculated formula | C18 H15 N O4 |
Title of publication | Synthesis of ω-functionalized ketones from strained cyclic alcohols by ring-opening and cross-recombination between alkyl and <i>N</i>-oxyl radicals. |
Authors of publication | Budnikov, Alexander S.; Krylov, Igor B.; Shevchenko, Mikhail I.; Sokova, Lyubov' L.; Liu, Yan; Yu, Bing; Terent'ev, Alexander O. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2024 |
Journal volume | 22 |
Journal issue | 44 |
Pages of publication | 8755 - 8763 |
a | 5.2279 ± 0.0001 Å |
b | 13.8547 ± 0.0004 Å |
c | 20.134 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1458.33 ± 0.07 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0342 |
Residual factor for significantly intense reflections | 0.0316 |
Weighted residual factors for significantly intense reflections | 0.0823 |
Weighted residual factors for all reflections included in the refinement | 0.0845 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
296662 (current) | 2024-12-06 | cif/ Updating files of 7160165 Original log message: Adding full bibliography for 7160165.cif. |
7160165.cif |
295000 | 2024-10-03 | cif/ Adding structures of 7160165 via cif-deposit CGI script. |
7160165.cif |
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