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Information card for entry 7226202
Preview
| Coordinates | 7226202.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Bis(2-hydroxy-4-methoxyphenyl)methanone |
|---|---|
| Formula | C15 H14 O5 |
| Calculated formula | C15 H14 O5 |
| SMILES | O(c1ccc(c(O)c1)C(=O)c1c(O)cc(OC)cc1)C |
| Title of publication | Rh-catalyzed direct synthesis of 2,2′-dihydroxybenzophenones and xanthones |
| Authors of publication | Rao, Maddali L. N.; Ramakrishna, Boddu S. |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 79 |
| Pages of publication | 75505 |
| a | 3.8416 ± 0.0003 Å |
| b | 25.1212 ± 0.0016 Å |
| c | 12.9636 ± 0.0009 Å |
| α | 90° |
| β | 92.567 ± 0.002° |
| γ | 90° |
| Cell volume | 1249.8 ± 0.15 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.118 |
| Residual factor for significantly intense reflections | 0.0581 |
| Weighted residual factors for significantly intense reflections | 0.1219 |
| Weighted residual factors for all reflections included in the refinement | 0.1535 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 185731 (current) | 2016-08-10 | cif/ Adding structures of 7226202 via cif-deposit CGI script. |
7226202.cif |
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