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Information card for entry 2021657
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| Coordinates | 2021657.cif |
|---|---|
| Structure factors | 2021657.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-(Diphenylphosphoryl)-2-methoxybenzamide |
|---|---|
| Formula | C20 H18 N O3 P |
| Calculated formula | C20 H18 N O3 P |
| SMILES | P(=O)(NC(=O)c1ccccc1OC)(c1ccccc1)c1ccccc1 |
| Title of publication | Crystal structure of N-(diphenylphosphoryl)-2-methoxybenzamide |
| Authors of publication | Trush, Victor A.; Kariaka, Nataliia S.; Dyakonenko, Viktoriya V.; Shishkina, Svitlana V.; Amirkhanov, Vladimir M. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 7 |
| Pages of publication | 939 |
| a | 8.317 ± 0.002 Å |
| b | 12.657 ± 0.002 Å |
| c | 16.763 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1764.6 ± 0.6 Å3 |
| Cell temperature | 294 K |
| Ambient diffraction temperature | 294 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0614 |
| Residual factor for significantly intense reflections | 0.0434 |
| Weighted residual factors for significantly intense reflections | 0.1046 |
| Weighted residual factors for all reflections included in the refinement | 0.1129 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215710 (current) | 2019-06-05 | cif/ hkl/ Adding structures of 2021657 via cif-deposit CGI script. |
2021657.cif 2021657.hkl |
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Users of the data should acknowledge the original authors of the
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