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Information card for entry 1545021
Preview
| Coordinates | 1545021.cif |
|---|---|
| Structure factors | 1545021.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Tris(2-methoxyphenyl)phosphine selenide |
|---|---|
| Formula | C21 H21 O3 P Se |
| Calculated formula | C21 H21 O3 P Se |
| SMILES | [Se]=P(c1c(OC)cccc1)(c1c(OC)cccc1)c1c(OC)cccc1 |
| Title of publication | Tris(2-methoxyphenyl)phosphine selenide |
| Authors of publication | Raymundo, Melina; Padgett, Clifford W.; Lynch, Will E. |
| Journal of publication | IUCrData |
| Year of publication | 2017 |
| Journal volume | 2 |
| Journal issue | 1 |
| Pages of publication | x170009 |
| a | 8.351 ± 0.004 Å |
| b | 27.156 ± 0.014 Å |
| c | 8.545 ± 0.004 Å |
| α | 90° |
| β | 99.414 ± 0.007° |
| γ | 90° |
| Cell volume | 1911.7 ± 1.6 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 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 | 0.042 |
| Residual factor for significantly intense reflections | 0.0341 |
| Weighted residual factors for significantly intense reflections | 0.0772 |
| Weighted residual factors for all reflections included in the refinement | 0.0836 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 190360 (current) | 2017-01-11 | cif/ hkl/ Adding structures of 1545021 via cif-deposit CGI script. |
1545021.cif 1545021.hkl |
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