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Information card for entry 2100579
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| Coordinates | 2100579.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | triethyl-1,3,5-benzenetricarboxylate |
|---|---|
| Chemical name | triethyl-1,3,5-benzenetricarboxylate |
| Formula | C15 H18 O6 |
| Calculated formula | C15 H18 O6 |
| SMILES | CCOC(=O)c1cc(cc(c1)C(=O)OCC)C(=O)OCC |
| Title of publication | Molecular versus crystal symmetry in tri-substituted triazine, benzene and isocyanurate derivatives |
| Authors of publication | Tremayne, Maryjane; Kariuki, Benson M.; Chong, Samantha Y.; Seaton, Colin C. |
| Journal of publication | Acta Crystallographica, Section B |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 2 |
| Pages of publication | 864 - 874 |
| a | 11.3588 ± 0.0001 Å |
| b | 11.3588 ± 0.0001 Å |
| c | 20.2725 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2265.18 ± 0.04 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 3 |
| Space group number | 169 |
| Hermann-Mauguin space group symbol | P 61 |
| Hall space group symbol | P 61 |
| Goodness-of-fit parameter for all reflections | 5.36 |
| Diffraction radiation wavelength | 1.54056 Å |
| Diffraction radiation type | CuKα~1~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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