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Information card for entry 1547075
Preview
| Coordinates | 1547075.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H14 Cl N O |
|---|---|
| Calculated formula | C20 H14 Cl N O |
| SMILES | Clc1ccc(c2c3ccc(nc3c3c(cccc3)c2O)C)cc1 |
| Title of publication | Synthesis of Aminophenanthrenes and Benzoquinolines via Hauser-Kraus Annulation of Sulfonyl Phthalide with Rauhut-Currier Adducts of Nitroalkenes. |
| Authors of publication | Kumar, Tarun; Mane, Vaijinath; Namboothiri, Irishi N. N. |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 16 |
| Pages of publication | 4283 - 4286 |
| a | 8.1638 ± 0.0008 Å |
| b | 14.323 ± 0.0011 Å |
| c | 13.4195 ± 0.001 Å |
| α | 90° |
| β | 107.745 ± 0.009° |
| γ | 90° |
| Cell volume | 1494.5 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1191 |
| Residual factor for significantly intense reflections | 0.065 |
| Weighted residual factors for significantly intense reflections | 0.1647 |
| Weighted residual factors for all reflections included in the refinement | 0.2394 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200592 (current) | 2017-09-12 | cif/ Adding structures of 1547075 via cif-deposit CGI script. |
1547075.cif |
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Users of the data should acknowledge the original authors of the
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