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Information card for entry 7224463
Preview
| Coordinates | 7224463.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H17 N3 O2 |
|---|---|
| Calculated formula | C24 H17 N3 O2 |
| SMILES | n1cc(c2n1C(=O)N(c1ccccc21)Cc1ccccc1)C(=O)c1ccccc1 |
| Title of publication | Phosphine-Catalyzed Domino Reactions of Alkynyl Ketones with Sulfonylhydrazones: Construction of Diverse Pyrazoloquinazoline Derivatives |
| Authors of publication | Chen, Qing-Qing; Li, Kaixun; Lu, Tao; Zhou, Qing-Fa |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 15.462 ± 0.003 Å |
| b | 9.289 ± 0.0019 Å |
| c | 13.431 ± 0.003 Å |
| α | 90° |
| β | 108.57 ± 0.03° |
| γ | 90° |
| Cell volume | 1828.6 ± 0.7 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1113 |
| Residual factor for significantly intense reflections | 0.0595 |
| Weighted residual factors for significantly intense reflections | 0.1291 |
| Weighted residual factors for all reflections included in the refinement | 0.1497 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 177125 (current) | 2016-03-02 | cif/ Adding structures of 7224463 via cif-deposit CGI script. |
7224463.cif |
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Users of the data should acknowledge the original authors of the
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