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Information card for entry 1534111
Preview
| Coordinates | 1534111.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | CBT-V-255-01 |
|---|---|
| Formula | C18 H16 I N O |
| Calculated formula | C18 H16 I N O |
| SMILES | IC/C=C/[C@]1(ON=C(C1)c1ccccc1)c1ccccc1 |
| Title of publication | Catalytic Enantioselective 1,4-Iodofunctionalizations of Conjugated Dienes. |
| Authors of publication | Tripathi, Chandra Bhushan; Mukherjee, Santanu |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 18 |
| Pages of publication | 4424 - 4427 |
| a | 9.9179 ± 0.0015 Å |
| b | 5.7432 ± 0.0007 Å |
| c | 14.186 ± 0.002 Å |
| α | 90° |
| β | 95.817 ± 0.009° |
| γ | 90° |
| Cell volume | 803.88 ± 0.19 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1043 |
| Residual factor for significantly intense reflections | 0.0448 |
| Weighted residual factors for significantly intense reflections | 0.0803 |
| Weighted residual factors for all reflections included in the refinement | 0.096 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 160463 (current) | 2015-10-06 | cif/ Adding structures of 1534111 via cif-deposit CGI script. |
1534111.cif |
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