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Information card for entry 4038864
Preview
| Coordinates | 4038864.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H21 O3 P |
|---|---|
| Calculated formula | C22 H21 O3 P |
| Title of publication | Isolable Phosphaalkenes Bearing 2,4,6-Trimethoxyphenyl and 2,6-Bis(trifluoromethyl)phenyl as P-Substituents. |
| Authors of publication | Han, Zeyu; Röhner, David; Samedov, Kerim; Gates, Derek P. |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 10.434 ± 0.0007 Å |
| b | 6.0505 ± 0.0004 Å |
| c | 29.2143 ± 0.0019 Å |
| α | 90° |
| β | 96.876 ± 0.002° |
| γ | 90° |
| Cell volume | 1831.1 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.075 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.1111 |
| Weighted residual factors for all reflections included in the refinement | 0.1206 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256962 (current) | 2020-10-03 | cif/ Adding structures of 4038864 via cif-deposit CGI script. |
4038864.cif |
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Users of the data should acknowledge the original authors of the
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