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Information card for entry 1554943
Preview
| Coordinates | 1554943.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | ORGANIC |
|---|---|
| Formula | C20 H22 N2 O4 |
| Calculated formula | C20 H22 N2 O4 |
| SMILES | O=C1N(C(=O)CC1c1cccc2c1C(=O)C=C(NCCCC)C2=O)CC |
| Title of publication | Regioselective C‒H alkylation and alkenylation at the C5 position of 2-amino-1,4-naphthoquinones with maleimides under Rh(iii) catalysis |
| Authors of publication | Yakkala, Prasanna Anjaneyulu; Giri, Deepesh; Chaudhary, Bharatkumar; Auti, Prashant; Sharma, Satyasheel |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2019 |
| Journal volume | 6 |
| Journal issue | 14 |
| Pages of publication | 2441 |
| a | 10.5905 ± 0.0002 Å |
| b | 16.0282 ± 0.0004 Å |
| c | 11.3851 ± 0.0003 Å |
| α | 90° |
| β | 116.637 ± 0.001° |
| γ | 90° |
| Cell volume | 1727.47 ± 0.07 Å3 |
| Cell temperature | 135 ± 2 K |
| Ambient diffraction temperature | 135 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0488 |
| Residual factor for significantly intense reflections | 0.0397 |
| Weighted residual factors for significantly intense reflections | 0.1057 |
| Weighted residual factors for all reflections included in the refinement | 0.1129 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238228 (current) | 2019-11-24 | cif/ Adding structures of 1554943 via cif-deposit CGI script. |
1554943.cif |
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Users of the data should acknowledge the original authors of the
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