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Information card for entry 7240840
Preview
| Coordinates | 7240840.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H21 F5 N2 O |
|---|---|
| Calculated formula | C25 H21 F5 N2 O |
| SMILES | FC(F)(F)c1ccc(/N=C2\OC(CN2Cc2ccccc2)(CC(F)F)c2ccccc2)cc1 |
| Title of publication | Visible-light promoted three-component tandem reaction to synthesize difluoromethylated oxazolidin-2-imine |
| Authors of publication | Bao, Kun; Wei, Jun; Yan, Huihui; Sheng, Rong |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 43 |
| Pages of publication | 25947 - 25951 |
| a | 8.6898 ± 0.001 Å |
| b | 11.1725 ± 0.0011 Å |
| c | 12.0639 ± 0.0013 Å |
| α | 76.082 ± 0.004° |
| β | 73.273 ± 0.004° |
| γ | 77.314 ± 0.004° |
| Cell volume | 1074.4 ± 0.2 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0821 |
| Residual factor for significantly intense reflections | 0.0663 |
| Weighted residual factors for significantly intense reflections | 0.1787 |
| Weighted residual factors for all reflections included in the refinement | 0.1915 |
| 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 |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7240840.cif |
| 258018 | 2020-10-06 | cif/ Updating files of 7240840 Original log message: Adding full bibliography for 7240840.cif. |
7240840.cif |
| 254170 | 2020-07-10 | cif/ Adding structures of 7240840 via cif-deposit CGI script. |
7240840.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.