Information card for entry 7127572
| Formula |
C20 H18 N2 O3 |
| Calculated formula |
C20 H18 N2 O3 |
| SMILES |
COc1ccc(n2cc(C3(O)C(=O)N(c4ccccc34)C)cc2)cc1 |
| Title of publication |
Direct catalytic synthesis of β-(C3)-substituted pyrroles: a complementary addition to the Paal-Knorr reaction. |
| Authors of publication |
Pawar, Amol Prakash; Yadav, Jyothi; Mir, Nisar Ahmad; Iype, Eldhose; Rangan, Krishnan; Anthal, Sumati; Kant, Rajni; Kumar, Indresh |
| Journal of publication |
Chemical communications (Cambridge, England) |
| Year of publication |
2021 |
| Journal volume |
57 |
| Journal issue |
2 |
| Pages of publication |
251 - 254 |
| a |
8.5337 ± 0.0013 Å |
| b |
10.2008 ± 0.0013 Å |
| c |
11.672 ± 0.002 Å |
| α |
90.88 ± 0.014° |
| β |
110.076 ± 0.016° |
| γ |
114.477 ± 0.014° |
| Cell volume |
853.7 ± 0.3 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.1945 |
| Residual factor for significantly intense reflections |
0.1639 |
| Weighted residual factors for significantly intense reflections |
0.4595 |
| Weighted residual factors for all reflections included in the refinement |
0.4779 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.616 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7127572.html
