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Information card for entry 1543674
Preview
| Coordinates | 1543674.cif |
|---|---|
| Structure factors | 1543674.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-Allyl-5-(2,5-dimethyl-1<i>H</i>-pyrrol-1-yl)-1<i>H</i>-indazole |
|---|---|
| Formula | C16 H17 N3 |
| Calculated formula | C16 H17 N3 |
| SMILES | n1(c(C)ccc1C)c1cc2cnn(c2cc1)CC=C |
| Title of publication | 1-Allyl-5-(2,5-dimethyl-1<i>H</i>-pyrrol-1-yl)-1<i>H</i>-indazole |
| Authors of publication | El Ghozlani, Mohamed; Rais, Adiba; Rakib, El Mostapha; Mojahidi, Souad; Saadi, Mohamed; El Ammari, Lahcen |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 7 |
| Pages of publication | x161121 |
| a | 7.514 ± 0.0002 Å |
| b | 10.3737 ± 0.0003 Å |
| c | 17.8484 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1391.25 ± 0.07 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.078 |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for significantly intense reflections | 0.0967 |
| Weighted residual factors for all reflections included in the refinement | 0.1128 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 184491 (current) | 2016-07-16 | cif/ hkl/ Adding structures of 1543674 via cif-deposit CGI script. |
1543674.cif 1543674.hkl |
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Users of the data should acknowledge the original authors of the
structural data.