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Information card for entry 1555535
Preview
| Coordinates | 1555535.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H25 Cl N O Rh |
|---|---|
| Calculated formula | C19 H25 Cl N O Rh |
| SMILES | [Rh]12345(Cl)([NH]=C(OCC)c6c1cccc6)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C |
| Title of publication | Synthesis of 1H-Indazoles from Imidates and Nitrosobenzenes via Synergistic Rhodium/Copper Catalysis. |
| Authors of publication | Wang, Qiang; Li, Xingwei |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 9 |
| Pages of publication | 2102 - 2105 |
| a | 13.0578 ± 0.0011 Å |
| b | 15.8566 ± 0.0013 Å |
| c | 18.5108 ± 0.0015 Å |
| α | 90° |
| β | 91.055 ± 0.002° |
| γ | 90° |
| Cell volume | 3832.1 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0434 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.0773 |
| Weighted residual factors for all reflections included in the refinement | 0.0829 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238866 (current) | 2019-11-24 | cif/ Adding structures of 1555535 via cif-deposit CGI script. |
1555535.cif |
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Users of the data should acknowledge the original authors of the
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