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Information card for entry 2008544
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| Coordinates | 2008544.cif |
|---|---|
| Structure factors | 2008544.hkl |
| Original IUCr paper | HTML |
| Chemical name | (R)-(+)-2-(4-Chlorophenoxy)propionic acid |
|---|---|
| Formula | C9 H9 Cl O3 |
| Calculated formula | C9 H9 Cl O3 |
| SMILES | Clc1ccc(O[C@H](C)C(=O)O)cc1 |
| Title of publication | (<i>R</i>)-(+)-2-(4-Chlorophenoxy)propionic acid |
| Authors of publication | Henning Osholm Sørensen; André Collet; Sine Larsen |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 6 |
| Pages of publication | 953 - 956 |
| a | 6.377 ± 0.002 Å |
| b | 6.972 ± 0.003 Å |
| c | 10.514 ± 0.016 Å |
| α | 90° |
| β | 104.45° |
| γ | 90° |
| Cell volume | 452.7 ± 0.7 Å3 |
| Cell temperature | 122 ± 0.2 K |
| Ambient diffraction temperature | 122 ± 0.5 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.022 |
| Residual factor for significantly intense reflections | 0.022 |
| Weighted residual factors for all reflections included in the refinement | 0.062 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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