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Information card for entry 7120462
Preview
| Coordinates | 7120462.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H21 F3 N2 O2 S |
|---|---|
| Calculated formula | C21 H21 F3 N2 O2 S |
| Title of publication | Copper-catalyzed trifluoromethylazidation and rearrangement of aniline-linked 1,7-enynes: access to CF3-substituted azaspirocyclic dihydroquinolin-2-ones and furoindolines |
| Authors of publication | Shi, Min; Wei, Yin; Yu, Liu-Zhu |
| Journal of publication | Chem. Commun. |
| Year of publication | 2017 |
| a | 10.439 ± 0.004 Å |
| b | 10.668 ± 0.004 Å |
| c | 11.232 ± 0.004 Å |
| α | 72.878 ± 0.008° |
| β | 74.118 ± 0.008° |
| γ | 65.951 ± 0.007° |
| Cell volume | 1074.6 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1155 |
| Residual factor for significantly intense reflections | 0.0707 |
| Weighted residual factors for significantly intense reflections | 0.2067 |
| Weighted residual factors for all reflections included in the refinement | 0.2383 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.971 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198768 (current) | 2017-07-18 | cif/ Adding structures of 7120461, 7120462, 7120463, 7120464, 7120465, 7120466, 7120467, 7120468 via cif-deposit CGI script. |
7120462.cif |
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Users of the data should acknowledge the original authors of the
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