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Information card for entry 7160083
Preview
| Coordinates | 7160083.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H25 N3 O2 |
|---|---|
| Calculated formula | C19 H25 N3 O2 |
| Title of publication | Combinatorial synthesis of substituted pyrazolo-fused quinazolines by the Rh(III)-catalyzed [5 + 1] annulation of phenyl-1<i>H</i>-pyrazol-5-amine with alkynoates and alkynamides. |
| Authors of publication | Chiu, Wei-Jung; Chu, Ting-Yen; Sun, Chung-Ming |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2024 |
| Journal volume | 22 |
| Journal issue | 33 |
| Pages of publication | 6841 - 6846 |
| a | 10.83365 ± 0.00016 Å |
| b | 14.19083 ± 0.00019 Å |
| c | 11.90925 ± 0.00015 Å |
| α | 90° |
| β | 97.2955 ± 0.0013° |
| γ | 90° |
| Cell volume | 1816.09 ± 0.04 Å3 |
| Cell temperature | 103 ± 6 K |
| Ambient diffraction temperature | 103 ± 6 K |
| Number of distinct elements | 4 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | I 1 a 1 |
| Hall space group symbol | I -2ya |
| Residual factor for all reflections | 0.0265 |
| Residual factor for significantly intense reflections | 0.0259 |
| Weighted residual factors for significantly intense reflections | 0.0686 |
| Weighted residual factors for all reflections included in the refinement | 0.069 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 294628 (current) | 2024-09-06 | cif/ Updating files of 7160083 Original log message: Adding full bibliography for 7160083.cif. |
7160083.cif |
| 293631 | 2024-08-02 | cif/ Adding structures of 7160083 via cif-deposit CGI script. |
7160083.cif |
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Users of the data should acknowledge the original authors of the
structural data.