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Information card for entry 7133480
Preview
| Coordinates | 7133480.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H22 N4 O2 |
|---|---|
| Calculated formula | C31 H22 N4 O2 |
| Title of publication | Divergent synthesis of pyrrolidone fused pyrimido[1,2-<i>b</i>]indazole through selective trapping of an enone intermediate by 1<i>H</i>-indazol-3-amine. |
| Authors of publication | Shen, Xi; Yu, Zhi-Cheng; Zhou, You; Wu, Yan-Dong; Wu, An-Xin |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2024 |
| Journal volume | 60 |
| Journal issue | 72 |
| Pages of publication | 9781 - 9784 |
| a | 18.947 ± 0.003 Å |
| b | 16.244 ± 0.003 Å |
| c | 15.993 ± 0.003 Å |
| α | 90° |
| β | 104.238 ± 0.002° |
| γ | 90° |
| Cell volume | 4771 ± 1.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0599 |
| Residual factor for significantly intense reflections | 0.0444 |
| Weighted residual factors for significantly intense reflections | 0.1291 |
| Weighted residual factors for all reflections included in the refinement | 0.1456 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295162 (current) | 2024-10-06 | cif/ Updating files of 7133480, 7133481 Original log message: Adding full bibliography for 7133480--7133481.cif. |
7133480.cif |
| 294077 | 2024-08-13 | cif/ Adding structures of 7133480, 7133481 via cif-deposit CGI script. |
7133480.cif |
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Users of the data should acknowledge the original authors of the
structural data.