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Information card for entry 1518734
Preview
| Coordinates | 1518734.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 3-Methoxy-1-(naphthalen-2-yl)-2-phenylpropan-1-one |
|---|---|
| Formula | C20 H18 O2 |
| Calculated formula | C20 H18 O2 |
| SMILES | O=C(c1cc2c(cc1)cccc2)C(c1ccccc1)COC |
| Title of publication | A triphenylphosphine mediated photo-rearrangement and methanol addition of aryl chalcones to 1-propanones. |
| Authors of publication | Sun, Qiu; Yao, Chang Jiang; König, Burkhard |
| Journal of publication | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology |
| Year of publication | 2015 |
| Journal volume | 14 |
| Journal issue | 5 |
| Pages of publication | 948 - 952 |
| a | 8.7862 ± 0.0002 Å |
| b | 16.6613 ± 0.0003 Å |
| c | 11.1995 ± 0.0003 Å |
| α | 90° |
| β | 112.702 ± 0.003° |
| γ | 90° |
| Cell volume | 1512.47 ± 0.07 Å3 |
| Cell temperature | 123 ± 0.14 K |
| Ambient diffraction temperature | 123 ± 0.14 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.039 |
| Residual factor for significantly intense reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.0925 |
| Weighted residual factors for all reflections included in the refinement | 0.0957 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518734.cif |
| 138872 | 2015-06-07 | cif/ Updating files of 1518734 Original log message: Adding full bibliography for 1518734.cif. |
1518734.cif |
| 131974 | 2015-02-18 | cif/ Adding structures of 1518734 via cif-deposit CGI script. |
1518734.cif |
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Users of the data should acknowledge the original authors of the
structural data.