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Information card for entry 2238401
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| Coordinates | 2238401.cif |
|---|---|
| Structure factors | 2238401.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-(2-Hydroxyethoxy)phenol |
|---|---|
| Formula | C8 H10 O3 |
| Calculated formula | C8 H10 O3 |
| SMILES | OCCOc1ccc(cc1)O |
| Title of publication | 4-(2-Hydroxyethoxy)phenol |
| Authors of publication | Meister, Anne C.; Lang, Mathias; Nieger, Martin; Bräse, Stefan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 8 |
| Pages of publication | o1303 - o1304 |
| a | 10.0388 ± 0.001 Å |
| b | 10.2425 ± 0.0008 Å |
| c | 15.0692 ± 0.0011 Å |
| α | 83.916 ± 0.008° |
| β | 86.47 ± 0.009° |
| γ | 77.124 ± 0.008° |
| Cell volume | 1500.8 ± 0.2 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1063 |
| Residual factor for significantly intense reflections | 0.0507 |
| Weighted residual factors for significantly intense reflections | 0.093 |
| Weighted residual factors for all reflections included in the refinement | 0.1097 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181306 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/84. |
2238401.cif 2238401.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2238401.cif 2238401.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238401.cif 2238401.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238401.cif 2238401.hkl |
| 88246 | 2013-09-04 | cif/ Adding structures of 2238401 via cif-deposit CGI script. |
2238401.cif |
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Users of the data should acknowledge the original authors of the
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