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Information card for entry 7225914
Preview
| Coordinates | 7225914.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H15 Cl N2 |
|---|---|
| Calculated formula | C21 H15 Cl N2 |
| SMILES | Clc1c(c2n(nc(c3ccccc3)c2)c2ccccc2)cccc1 |
| Title of publication | Brönsted acid-mediated Annulations of 1-Cyanocyclopropane-1-carboxylates with Arylhydrazines: Efficient Strategy for Synthesis of 1,3,5-Trisubstituted Pyrazoles |
| Authors of publication | Xue, Shuwen; Liu, Jiaming; Qing, Xushun; Wang, Cunde |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 20.6551 ± 0.0005 Å |
| b | 20.6551 ± 0.0005 Å |
| c | 15.9903 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6822 ± 0.4 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 4 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.0477 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for significantly intense reflections | 0.1039 |
| Weighted residual factors for all reflections included in the refinement | 0.1139 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 184440 (current) | 2016-07-13 | cif/ Adding structures of 7225912, 7225913, 7225914, 7225915, 7225916 via cif-deposit CGI script. |
7225914.cif |
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Users of the data should acknowledge the original authors of the
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