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Information card for entry 2240016
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| Coordinates | 2240016.cif |
|---|---|
| Structure factors | 2240016.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 3-[4-(Benzyloxy)phenyl]-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-1-one |
|---|---|
| Formula | C26 H19 O3 |
| Calculated formula | C26 H19 O3 |
| SMILES | c1ccccc1COc1ccc(C2CC(=O)c3c4ccccc4ccc3O2)cc1 |
| Title of publication | Crystal structure of 3-[4-(benzyloxy)phenyl]-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-1-one |
| Authors of publication | Vasanthi, R.; Reuben Jonathan, D.; Ezhilarasi, K. S.; Sathya, S.; Usha, G. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 10 |
| Pages of publication | o1116 - o1117 |
| a | 6.9632 ± 0.0004 Å |
| b | 35.846 ± 0.002 Å |
| c | 7.7879 ± 0.0005 Å |
| α | 90° |
| β | 100.375 ± 0.003° |
| γ | 90° |
| Cell volume | 1912.1 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0815 |
| Residual factor for significantly intense reflections | 0.0579 |
| Weighted residual factors for significantly intense reflections | 0.1544 |
| Weighted residual factors for all reflections included in the refinement | 0.1719 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.975 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181900 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/00 |
2240016.cif 2240016.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. |
2240016.cif 2240016.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. |
2240016.cif 2240016.hkl |
| 124362 | 2014-09-28 | cif/ hkl/ Adding structures of 2240016 via cif-deposit CGI script. |
2240016.cif 2240016.hkl |
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Users of the data should acknowledge the original authors of the
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