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Information card for entry 2019814
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| Coordinates | 2019814.cif |
|---|---|
| Structure factors | 2019814.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3-Hydroxy-2-phenylchroman-4-one |
|---|---|
| Formula | C15 H12 O3 |
| Calculated formula | C15 H12 O3 |
| Title of publication | Crystal structure of (2S/2R,3S/3R)-3-hydroxy-2-phenylchroman-4-one |
| Authors of publication | Belguedj, Roumaissa; Bouacida, Sofiane; Merazig, Hocine; Chibani, Aissa; Bouraiou, Abdelmalek |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| Pages of publication | o131 |
| a | 5.3068 ± 0.0003 Å |
| b | 26.711 ± 0.0018 Å |
| c | 9.4679 ± 0.0006 Å |
| α | 90° |
| β | 117.431 ± 0.003° |
| γ | 90° |
| Cell volume | 1191.18 ± 0.13 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 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 | 0.0921 |
| Residual factor for significantly intense reflections | 0.0575 |
| Weighted residual factors for significantly intense reflections | 0.1319 |
| Weighted residual factors for all reflections included in the refinement | 0.1482 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181868 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/98. |
2019814.cif 2019814.hkl |
| 180866 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/98. |
2019814.cif 2019814.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019814.cif 2019814.hkl |
| 130199 | 2015-01-29 | cif/ hkl/ Adding structures of 2019814 via cif-deposit CGI script. |
2019814.cif 2019814.hkl |
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Users of the data should acknowledge the original authors of the
structural data.