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Information card for entry 7121836
Preview
| Coordinates | 7121836.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 4of |
|---|---|
| Formula | C14 H25 N O5 |
| Calculated formula | C14 H25 N O5 |
| Title of publication | Use of a benzyl ether as a traceless hydrogen donor in the anti-Markovnikov hydrofunctionalization of alkenes with xanthates. |
| Authors of publication | Hayashi, Hirohito; Kaga, Atsushi; Wang, Bin; Gagosz, Fabien; Chiba, Shunsuke |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 54 |
| Pages of publication | 7535 - 7538 |
| a | 15.5057 ± 0.0008 Å |
| b | 9.2475 ± 0.0005 Å |
| c | 11.6104 ± 0.0005 Å |
| α | 90° |
| β | 108.886 ± 0.0017° |
| γ | 90° |
| Cell volume | 1575.17 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1145 |
| Residual factor for significantly intense reflections | 0.0883 |
| Weighted residual factors for significantly intense reflections | 0.2154 |
| Weighted residual factors for all reflections included in the refinement | 0.2461 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7121836.cif |
| 228561 | 2019-11-17 | cif/ Updating files of 7121836 Original log message: Adding full bibliography for 7121836.cif. |
7121836.cif |
| 208319 | 2018-06-13 | cif/ Adding structures of 7121836 via cif-deposit CGI script. |
7121836.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.