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Information card for entry 2019458
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| Coordinates | 2019458.cif |
|---|---|
| Structure factors | 2019458.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1'-Deoxy-1'-(2,4,6-trifluorophenyl)-β-<i>D</i>-ribofuranose |
|---|---|
| Formula | C11 H11 F3 O4 |
| Calculated formula | C11 H11 F3 O4 |
| SMILES | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)c1c(F)cc(cc1F)F |
| Title of publication | Three different fluoro- or chloro-substituted 1'-deoxy-1'-phenyl-β-<small>D</small>-ribofuranoses |
| Authors of publication | Bats, Jan W.; Živković, Aleksandra; Parsch, Jörg; Engels, Joachim W. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 4 |
| Pages of publication | 400 - 404 |
| a | 11.209 ± 0.003 Å |
| b | 20.221 ± 0.005 Å |
| c | 4.9699 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1126.5 ± 0.5 Å3 |
| Cell temperature | 142 ± 2 K |
| Ambient diffraction temperature | 142 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.0341 |
| Residual factor for significantly intense reflections | 0.0313 |
| Weighted residual factors for significantly intense reflections | 0.0797 |
| Weighted residual factors for all reflections included in the refinement | 0.0815 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.139 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181864 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/94. |
2019458.cif 2019458.hkl |
| 180862 | 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 2/01/94. |
2019458.cif 2019458.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. |
2019458.cif 2019458.hkl |
| 108748 | 2014-04-03 | cif/ hkl/ Adding structures of 2019457, 2019458, 2019459 via cif-deposit CGI script. |
2019458.cif 2019458.hkl |
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