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Information card for entry 7226690
Preview
| Coordinates | 7226690.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H23 N3 O2 |
|---|---|
| Calculated formula | C20 H23 N3 O2 |
| SMILES | C1(=O)CC(C)(C)CC2=C1C(c1c(N2)[nH]nc1C)c1ccc(cc1)OC |
| Title of publication | L-Proline as an efficient enantioinduction organo-catalyst in the solvent-free synthesis of pyrazolo[3,4-b]quinoline derivatives via one-pot multi-component reaction |
| Authors of publication | Bhattacharjee, Deboshikha; Kshiar, Baskhemlang; Myrboh, Bekington |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 8.7142 ± 0.0007 Å |
| b | 14.7858 ± 0.0008 Å |
| c | 14.5751 ± 0.0009 Å |
| α | 90° |
| β | 106.346 ± 0.007° |
| γ | 90° |
| Cell volume | 1802 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1686 |
| Residual factor for significantly intense reflections | 0.1321 |
| Weighted residual factors for significantly intense reflections | 0.3486 |
| Weighted residual factors for all reflections included in the refinement | 0.3845 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.407 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 186876 (current) | 2016-10-01 | cif/ Adding structures of 7226690 via cif-deposit CGI script. |
7226690.cif |
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Users of the data should acknowledge the original authors of the
structural data.