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Information card for entry 7242945
Preview
| Coordinates | 7242945.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H8 F6 N2 O3 |
|---|---|
| Calculated formula | C17 H8 F6 N2 O3 |
| Title of publication | Catalyst- and solvent-free Csp2‒H functionalization of 4-hydroxycoumarins via C-3 dehydrogenative aza-coupling under ball-milling |
| Authors of publication | Brahmachari, Goutam; Karmakar, Indrajit; Karmakar, Pintu |
| Journal of publication | Green Chemistry |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 13 |
| Pages of publication | 4762 - 4770 |
| a | 31.1491 ± 0.0011 Å |
| b | 7.2268 ± 0.0004 Å |
| c | 13.9772 ± 0.0007 Å |
| α | 90° |
| β | 92.13 ± 0.004° |
| γ | 90° |
| Cell volume | 3144.2 ± 0.3 Å3 |
| Cell temperature | 150.01 ± 0.11 K |
| Ambient diffraction temperature | 150.01 ± 0.11 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1339 |
| Residual factor for significantly intense reflections | 0.1088 |
| Weighted residual factors for significantly intense reflections | 0.2891 |
| Weighted residual factors for all reflections included in the refinement | 0.3394 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.174 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268821 (current) | 2021-09-06 | cif/ Updating files of 7242945 Original log message: Adding full bibliography for 7242945.cif. |
7242945.cif |
| 265605 | 2021-05-29 | cif/ Adding structures of 7242945 via cif-deposit CGI script. |
7242945.cif |
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Users of the data should acknowledge the original authors of the
structural data.