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Information card for entry 4035323
Preview
| Coordinates | 4035323.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H21 Br N2 O3 S |
|---|---|
| Calculated formula | C18 H21 Br N2 O3 S |
| Title of publication | Synthesis of (-)-Cytisine Using a 6- endo aza-Michael Addition. |
| Authors of publication | Barát, Viktor; Csókás, Dániel; Bates, Roderick W. |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2018 |
| Journal volume | 83 |
| Journal issue | 16 |
| Pages of publication | 9088 - 9095 |
| a | 9.8775 ± 0.0008 Å |
| b | 15.4447 ± 0.0013 Å |
| c | 11.7776 ± 0.001 Å |
| α | 90° |
| β | 94.832 ± 0.002° |
| γ | 90° |
| Cell volume | 1790.3 ± 0.3 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.099 |
| Residual factor for significantly intense reflections | 0.0592 |
| Weighted residual factors for significantly intense reflections | 0.1122 |
| Weighted residual factors for all reflections included in the refinement | 0.1245 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.167 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 226787 (current) | 2019-11-11 | cif/ Adding structures of 4035323 via cif-deposit CGI script. |
4035323.cif |
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Users of the data should acknowledge the original authors of the
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