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Information card for entry 1518427
Preview
| Coordinates | 1518427.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H9 F3 N2 O2 |
|---|---|
| Calculated formula | C15 H9 F3 N2 O2 |
| SMILES | O=N(=O)c1c(c2c3c([nH]c2)cccc3)cc(cc1)C(F)(F)F |
| Title of publication | KO(t)Bu-Mediated Aerobic Transition-Metal-Free Regioselective β-Arylation of Indoles: Synthesis of β-(2-/4-Nitroaryl)-indoles. |
| Authors of publication | Kumar, Shailesh; Rathore, Vandana; Verma, Ajay; Prasad, Ch Durga; Kumar, Amit; Yadav, Abhimanyu; Jana, Sadhan; Sattar, Moh; Meenakshi, ?; Kumar, Sangit |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 1 |
| Pages of publication | 82 - 85 |
| a | 16.6085 ± 0.001 Å |
| b | 7.853 ± 0.0006 Å |
| c | 20.7239 ± 0.0015 Å |
| α | 90° |
| β | 103.721 ± 0.003° |
| γ | 90° |
| Cell volume | 2625.8 ± 0.3 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1472 |
| Residual factor for significantly intense reflections | 0.0989 |
| Weighted residual factors for significantly intense reflections | 0.278 |
| Weighted residual factors for all reflections included in the refinement | 0.3228 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182022 (current) | 2016-04-12 | cif/1 Fixing some Z values and formulae |
1518427.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518427.cif |
| 130825 | 2015-02-04 | cif/ Updating files of 1518427, 1518428 Original log message: Adding full bibliography for 1518427--1518428.cif. |
1518427.cif |
| 128695 | 2014-12-13 | cif/ Adding structures of 1518427 via cif-deposit CGI script. |
1518427.cif |
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