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Information card for entry 7158385
Preview
| Coordinates | 7158385.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H20 Cl N3 O4 |
|---|---|
| Calculated formula | C22 H20 Cl N3 O4 |
| Title of publication | Low catalyst loading enabled organocatalytic synthesis of chiral bis-heterocyclic frameworks containing pyrazole and isoxazole. |
| Authors of publication | Kaur, Banni Preet; Sharma, Vivek; Sahoo, Subash Chandra; Chimni, Swapandeep Singh |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2021 |
| Journal volume | 19 |
| Journal issue | 45 |
| Pages of publication | 9910 - 9924 |
| a | 7.7803 ± 0.0002 Å |
| b | 9.3559 ± 0.0003 Å |
| c | 14.8204 ± 0.0004 Å |
| α | 90° |
| β | 90.009 ± 0.003° |
| γ | 90° |
| Cell volume | 1078.8 ± 0.05 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0806 |
| Residual factor for significantly intense reflections | 0.0561 |
| Weighted residual factors for significantly intense reflections | 0.1366 |
| Weighted residual factors for all reflections included in the refinement | 0.17 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271230 (current) | 2021-12-07 | cif/ Updating files of 7158385 Original log message: Adding full bibliography for 7158385.cif. |
7158385.cif |
| 270319 | 2021-11-05 | cif/ Adding structures of 7158385 via cif-deposit CGI script. |
7158385.cif |
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Users of the data should acknowledge the original authors of the
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