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Information card for entry 1543901
Preview
| Coordinates | 1543901.cif |
|---|---|
| Structure factors | 1543901.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Tris(4-methoxyphenyl)phosphine selenide |
|---|---|
| Formula | C21 H21 O3 P Se |
| Calculated formula | C21 H21 O3 P Se |
| SMILES | [Se]=P(c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1 |
| Title of publication | Tris(4-methoxyphenyl)phosphine selenide |
| Authors of publication | Raymundo, Melina; Padgett, Clifford W.; Lynch, Will E. |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 8 |
| Pages of publication | x161271 |
| a | 16.442 ± 0.011 Å |
| b | 10.991 ± 0.007 Å |
| c | 11.722 ± 0.008 Å |
| α | 90° |
| β | 108.611 ± 0.007° |
| γ | 90° |
| Cell volume | 2008 ± 2 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0384 |
| Residual factor for significantly intense reflections | 0.0328 |
| Weighted residual factors for significantly intense reflections | 0.0608 |
| Weighted residual factors for all reflections included in the refinement | 0.0649 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.915 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 185843 (current) | 2016-08-17 | cif/ hkl/ Adding structures of 1543901 via cif-deposit CGI script. |
1543901.cif 1543901.hkl |
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