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Information card for entry 2240605
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| Coordinates | 2240605.cif |
|---|---|
| Structure factors | 2240605.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 3-(4-Methoxyphenyl)-2,3-dihydro-1<i>H</i>-naphtho[2,1-<i>b</i>]pyran-1-one |
|---|---|
| Formula | C20 H16 O3 |
| Calculated formula | C20 H16 O3 |
| SMILES | c1cccc2c1c1c(cc2)OC(CC1=O)c1ccc(cc1)OC |
| Title of publication | Crystal structure of 3-(4-methoxyphenyl)-2,3-dihydro-1<i>H</i>-naphtho[2,1-<i>b</i>]pyran-1-one |
| Authors of publication | Vasanthi, R.; Reuben Jonathan, D.; Elizhlarasi, K. S.; Revathi, B. K.; Usha, G. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 5 |
| Pages of publication | o332 |
| a | 7.3612 ± 0.0003 Å |
| b | 17.854 ± 0.0009 Å |
| c | 11.9465 ± 0.0006 Å |
| α | 90° |
| β | 105.697 ± 0.002° |
| γ | 90° |
| Cell volume | 1511.54 ± 0.12 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 | 0.0877 |
| Residual factor for significantly intense reflections | 0.0475 |
| Weighted residual factors for significantly intense reflections | 0.1277 |
| Weighted residual factors for all reflections included in the refinement | 0.1713 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181906 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/06 |
2240605.cif 2240605.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2240605.cif 2240605.hkl |
| 136397 | 2015-05-13 | cif/ hkl/ Adding structures of 2240605 via cif-deposit CGI script. |
2240605.cif 2240605.hkl |
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Users of the data should acknowledge the original authors of the
structural data.