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Information card for entry 7249350
Preview
| Coordinates | 7249350.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H18 F N O3 |
|---|---|
| Calculated formula | C21 H18 F N O3 |
| Title of publication | Electrochemically enabled dearomative [2 + 2] cycloadditions of indoles with alkynes to access cyclobutene-fused indolines |
| Authors of publication | Zi, Jingjing; Tang, Huiling; Wang, Dongyin; Li, Meng; Zhou, Yuxiang; Lv, Sihui; Liang, Deqiang; Shi, Lou |
| Journal of publication | Green Chemistry |
| Year of publication | 2024 |
| Journal volume | 26 |
| Journal issue | 20 |
| Pages of publication | 10397 - 10403 |
| a | 12.5984 ± 0.0006 Å |
| b | 10.5934 ± 0.0005 Å |
| c | 13.2326 ± 0.0006 Å |
| α | 90° |
| β | 108.318 ± 0.002° |
| γ | 90° |
| Cell volume | 1676.53 ± 0.14 Å3 |
| Cell temperature | 100 ± 0.2 K |
| Ambient diffraction temperature | 100 ± 0.2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0362 |
| Residual factor for significantly intense reflections | 0.0329 |
| Weighted residual factors for significantly intense reflections | 0.0815 |
| Weighted residual factors for all reflections included in the refinement | 0.0832 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296611 (current) | 2024-12-06 | cif/ Updating files of 7249350 Original log message: Adding full bibliography for 7249350.cif. |
7249350.cif |
| 294786 | 2024-09-19 | cif/ Adding structures of 7249350 via cif-deposit CGI script. |
7249350.cif |
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Users of the data should acknowledge the original authors of the
structural data.