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Information card for entry 8104945
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| Coordinates | 8104945.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2-(2-methoxyphenyl)acetic acid |
|---|---|
| Chemical name | 2-(2-methoxyphenyl)acetic acid |
| Formula | C9 H10 O3 |
| Calculated formula | C9 H10 O3 |
| SMILES | O(C)c1c(CC(=O)O)cccc1 |
| Title of publication | The crystal structure of 2-(2-methoxyphenyl)acetic acid, C9H10O3 |
| Authors of publication | Hosten, Eric C.; Betz, Richard |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 1 |
| Pages of publication | 277 - 279 |
| a | 14.257 ± 0.0006 Å |
| b | 7.925 ± 0.0004 Å |
| c | 29.8796 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3376 ± 0.3 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0658 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.0941 |
| Weighted residual factors for all reflections included in the refinement | 0.105 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274108 (current) | 2022-03-30 | cif/ Adding structures of 8104945 via cif-deposit CGI script. |
8104945.cif |
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