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Information card for entry 7239715
Preview
| Coordinates | 7239715.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H16 F3 N O2 |
|---|---|
| Calculated formula | C19 H16 F3 N O2 |
| Title of publication | Catalyst-free, direct electrochemical synthesis of annulated medium-sized lactams through C‒C bond cleavage |
| Authors of publication | Xu, Zhongnan; Huang, Zhixing; Li, Yueheng; Kuniyil, Rositha; Zhang, Chao; Ackermann, Lutz; Ruan, Zhixiong |
| Journal of publication | Green Chemistry |
| Year of publication | 2020 |
| Journal volume | 22 |
| Journal issue | 4 |
| Pages of publication | 1099 - 1104 |
| a | 15.4973 ± 0.0003 Å |
| b | 10.5001 ± 0.0002 Å |
| c | 9.92584 ± 0.00018 Å |
| α | 90° |
| β | 90.3156 ± 0.0016° |
| γ | 90° |
| Cell volume | 1615.14 ± 0.05 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0418 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.104 |
| Weighted residual factors for all reflections included in the refinement | 0.1068 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| 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 |
|---|---|---|---|
| 257589 (current) | 2020-10-06 | cif/ Updating files of 7239715 Original log message: Adding full bibliography for 7239715.cif. |
7239715.cif |
| 248993 | 2020-03-05 | cif/ Updating files of 7239715 Original log message: Adding full bibliography for 7239715.cif. |
7239715.cif |
| 246387 | 2020-01-01 | cif/ Adding structures of 7239715 via cif-deposit CGI script. |
7239715.cif |
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Users of the data should acknowledge the original authors of the
structural data.