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Information card for entry 7226047
Preview
| Coordinates | 7226047.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | (5-Ethyl-2-hydroxyphenyl)(2'-hydroxy-[1,1':3',1''-terphenyl]-5'-yl)methanone |
|---|---|
| Formula | C27 H22 O3 |
| Calculated formula | C27 H22 O3 |
| Title of publication | Mild base-promoted benzannulation for the construction of polyfunctionalized m-terphenyl derivatives and their application as potent UV-filters |
| Authors of publication | Tamargo, Ramuel John Inductivo; Poudel, Tej Narayan; Lee, Yong Rok |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 74 |
| Pages of publication | 70311 |
| a | 12.4924 ± 0.0009 Å |
| b | 8.6494 ± 0.0005 Å |
| c | 20.0211 ± 0.0014 Å |
| α | 90° |
| β | 105.311 ± 0.004° |
| γ | 90° |
| Cell volume | 2086.5 ± 0.2 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.1085 |
| Residual factor for significantly intense reflections | 0.0487 |
| Weighted residual factors for significantly intense reflections | 0.0968 |
| Weighted residual factors for all reflections included in the refinement | 0.1181 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7226047.cif |
| 184669 | 2016-07-26 | cif/ Adding structures of 7226047 via cif-deposit CGI script. |
7226047.cif |
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Users of the data should acknowledge the original authors of the
structural data.