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Information card for entry 1555426
Preview
| Coordinates | 1555426.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H15 B F N O5 |
|---|---|
| Calculated formula | C13.001 H15.001 B F N O5 |
| SMILES | [B]12(C(CO)c3ccc(F)cc3)[N](CC(=O)O1)(CC(=O)O2)C |
| Title of publication | Access to Cyclic Amino Boronates via Rhodium-Catalyzed Functionalization of Alkyl MIDA Boronates. |
| Authors of publication | St Denis, Jeffrey D.; Lee, C. Frank; Yudin, Andrei K. |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 23 |
| Pages of publication | 5764 - 5767 |
| a | 13.4038 ± 0.0013 Å |
| b | 9.8242 ± 0.0009 Å |
| c | 11.011 ± 0.0011 Å |
| α | 90° |
| β | 110.376 ± 0.002° |
| γ | 90° |
| Cell volume | 1359.2 ± 0.2 Å3 |
| Cell temperature | 147 ± 2 K |
| Ambient diffraction temperature | 147 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0447 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.1028 |
| Weighted residual factors for all reflections included in the refinement | 0.1065 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238653 (current) | 2019-11-24 | cif/ Adding structures of 1555426 via cif-deposit CGI script. |
1555426.cif |
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Users of the data should acknowledge the original authors of the
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