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Information card for entry 7157656
Preview
Coordinates | 7157656.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H23 I2 N3 O4 S2 |
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Calculated formula | C19 H23 I2 N3 O4 S2 |
Title of publication | Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group. |
Authors of publication | Kletskov, Alexey V.; Zatykina, Anastasya D.; Grudova, Mariya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Zaytsev, Vladimir P.; Gil, Diego M.; Novikov, Roman A.; Zubkov, Fedor I.; Frontera, Antonio |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2020 |
Journal volume | 18 |
Journal issue | 41 |
Pages of publication | 8386 - 8394 |
a | 15.4193 ± 0.0004 Å |
b | 24.5788 ± 0.0007 Å |
c | 6.1039 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2313.3 ± 0.12 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.0303 |
Residual factor for significantly intense reflections | 0.0253 |
Weighted residual factors for significantly intense reflections | 0.0523 |
Weighted residual factors for all reflections included in the refinement | 0.0543 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.198 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
258952 (current) | 2020-11-06 | cif/ Updating files of 7157649, 7157650, 7157651, 7157652, 7157653, 7157654, 7157655, 7157656 Original log message: Adding full bibliography for 7157649--7157656.cif. |
7157656.cif |
255290 | 2020-08-13 | cif/ Adding structures of 7157649, 7157650, 7157651, 7157652, 7157653, 7157654, 7157655, 7157656 via cif-deposit CGI script. |
7157656.cif |
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Users of the data should acknowledge the original authors of the
structural data.