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Information card for entry 7223946
Preview
| Coordinates | 7223946.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H14 Br N O5 |
|---|---|
| Calculated formula | C12 H14 Br N O5 |
| SMILES | Brc1cc(ccc1OC)[C@@H](CN(=O)=O)CC(=O)OC |
| Title of publication | Asymmetric synthesis of functionalized pyrrolizidines by an organocatalytic and pot-economy strategy |
| Authors of publication | Lin, Chia-Hsin; Hong, Bor-Cherng; Lee, Gene-Hsiang |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 10 |
| Pages of publication | 8243 |
| a | 5.837 ± 0.0004 Å |
| b | 9.2077 ± 0.0006 Å |
| c | 25.6068 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1376.25 ± 0.16 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0428 |
| Residual factor for significantly intense reflections | 0.0342 |
| Weighted residual factors for significantly intense reflections | 0.0814 |
| Weighted residual factors for all reflections included in the refinement | 0.0961 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 174675 (current) | 2016-01-21 | cif/ Adding structures of 7223946, 7223947 via cif-deposit CGI script. |
7223946.cif |
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Users of the data should acknowledge the original authors of the
structural data.