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Information card for entry 1553239
Preview
| Coordinates | 1553239.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H24 Cl2 F6 N4 O4 |
|---|---|
| Calculated formula | C29 H24 Cl2 F6 N4 O4 |
| Title of publication | A multistep continuous flow synthesis machine for the preparation of pyrazoles <i>via</i> a metal-free amine-redox process. |
| Authors of publication | Poh, Jian-Siang; Browne, Duncan L.; Ley, Steven V. |
| Journal of publication | Reaction chemistry & engineering |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 1 |
| Pages of publication | 101 - 105 |
| a | 14.9981 ± 0.0003 Å |
| b | 14.2324 ± 0.0003 Å |
| c | 14.6364 ± 0.0003 Å |
| α | 90° |
| β | 103.93 ± 0.001° |
| γ | 90° |
| Cell volume | 3032.39 ± 0.11 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0702 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for significantly intense reflections | 0.1414 |
| Weighted residual factors for all reflections included in the refinement | 0.152 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 233863 (current) | 2019-11-23 | cif/ Adding structures of 1553239, 1553240 via cif-deposit CGI script. |
1553239.cif |
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Users of the data should acknowledge the original authors of the
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