Information card for entry 2206319
| Common name |
2,5-dibenzoyl-terephthalic acid |
| Chemical name |
2,5-Dibenzoylterephthalic acid ethanol disolvate |
| Formula |
C26 H26 O8 |
| Calculated formula |
C26 H26 O8 |
| SMILES |
OC(=O)c1cc(c(cc1C(=O)c1ccccc1)C(=O)O)C(=O)c1ccccc1.CCO.CCO |
| Title of publication |
2,5-Dibenzoylterephthalic acid ethanol disolvate |
| Authors of publication |
Zhu, Hong-jun; Wang, Dan-Dan; Song, Guang-Liang; Wang, Jin-Tang; Lu, Wei-Wei; Yu, Rong |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2005 |
| Journal volume |
61 |
| Journal issue |
7 |
| Pages of publication |
o2237 - o2238 |
| a |
6.101 ± 0.001 Å |
| b |
8.598 ± 0.002 Å |
| c |
11.479 ± 0.002 Å |
| α |
94.88 ± 0.03° |
| β |
98.56 ± 0.03° |
| γ |
92.42 ± 0.03° |
| Cell volume |
592.4 ± 0.2 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 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 |
0.0895 |
| Residual factor for significantly intense reflections |
0.0548 |
| Weighted residual factors for significantly intense reflections |
0.1494 |
| Weighted residual factors for all reflections included in the refinement |
0.17 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.046 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
Yes |
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https://www.crystallography.net/2206319.html
