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Information card for entry 2240048
Preview
| Coordinates | 2240048.cif |
|---|---|
| Structure factors | 2240048.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Crystal structure of bis(4-allyl-2-methoxyphenyl) terephthalate |
|---|---|
| Formula | C28 H26 O6 |
| Calculated formula | C28 H26 O6 |
| Title of publication | Crystal structure of bis(4-allyl-2-methoxyphenyl) terephthalate |
| Authors of publication | Kang, Sung Kwon; Han, Byung Hee |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 10 |
| Pages of publication | o1138 |
| a | 7.8853 ± 0.0002 Å |
| b | 9.0404 ± 0.0003 Å |
| c | 9.4801 ± 0.0003 Å |
| α | 70.66 ± 0.004° |
| β | 73.817 ± 0.003° |
| γ | 75.145 ± 0.002° |
| Cell volume | 602.28 ± 0.04 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.073 |
| Residual factor for significantly intense reflections | 0.0508 |
| Weighted residual factors for all reflections included in the refinement | 0.1727 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2240048.cif 2240048.hkl |
| 181900 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/00 |
2240048.cif 2240048.hkl |
| 181320 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/00. |
2240048.cif 2240048.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240048.cif 2240048.hkl |
| 125056 | 2014-10-08 | cif/ hkl/ Adding structures of 2240048 via cif-deposit CGI script. |
2240048.cif 2240048.hkl |
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Users of the data should acknowledge the original authors of the
structural data.