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Information card for entry 1547093
Preview
| Coordinates | 1547093.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H22 N2 O7 |
|---|---|
| Calculated formula | C21 H22 N2 O7 |
| SMILES | O(Cc1ccccc1)[C@@H](C)[C@](OC(=O)c1cc(N(=O)=O)cc(N(=O)=O)c1)(C)CC=C |
| Title of publication | Additions of Organomagnesium Halides to α-Alkoxy Ketones: Revision of the Chelation-Control Model. |
| Authors of publication | Read, Jacquelyne A.; Yang, Yingying; Woerpel, K. A. |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 13 |
| Pages of publication | 3346 - 3349 |
| a | 7.5 ± 0.007 Å |
| b | 10.984 ± 0.01 Å |
| c | 12.966 ± 0.012 Å |
| α | 79.535 ± 0.012° |
| β | 87.356 ± 0.011° |
| γ | 75.611 ± 0.01° |
| Cell volume | 1017.4 ± 1.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.1368 |
| Residual factor for significantly intense reflections | 0.0722 |
| Weighted residual factors for significantly intense reflections | 0.1502 |
| Weighted residual factors for all reflections included in the refinement | 0.1833 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200611 (current) | 2017-09-12 | cif/ Adding structures of 1547093 via cif-deposit CGI script. |
1547093.cif |
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Users of the data should acknowledge the original authors of the
structural data.