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Information card for entry 1573079
Preview
| Coordinates | 1573079.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | Tris(4-chlorophenyl) phosphate |
|---|---|
| Chemical name | Tris(4-chlorophenyl) phosphate |
| Formula | C18 H12 Cl3 O4 P |
| Calculated formula | C18 H12 Cl3 O4 P |
| SMILES | Clc1ccc(OP(=O)(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)cc1 |
| Title of publication | Tris(4-chlorophenyl) phosphate |
| Authors of publication | Birch, Joshua; Hosten, Eric Cyriel; Betz, Richard |
| Journal of publication | IUCrData |
| Year of publication | 2024 |
| Journal volume | 9 |
| Journal issue | 11 |
| a | 7.5771 ± 0.0005 Å |
| b | 21.128 ± 0.0014 Å |
| c | 11.2665 ± 0.0007 Å |
| α | 90° |
| β | 95.835 ± 0.002° |
| γ | 90° |
| Cell volume | 1794.3 ± 0.2 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 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 | 0.0443 |
| Residual factor for significantly intense reflections | 0.0376 |
| Weighted residual factors for significantly intense reflections | 0.0912 |
| Weighted residual factors for all reflections included in the refinement | 0.0969 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295859 (current) | 2024-11-09 | cif/ Adding structures of 1573079 via cif-deposit CGI script. |
1573079.cif |
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