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Information card for entry 8107676
Preview
| Coordinates | 8107676.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 6-hydroxy-2-naphthoic acid |
|---|---|
| Chemical name | 6-hydroxy-2-naphthoic acid |
| Formula | C11 H8 O3 |
| Calculated formula | C11 H8 O3 |
| SMILES | C(=O)(c1cc2ccc(cc2cc1)O)O |
| Title of publication | The crystal structure of a new polymorph of 6-hydroxy-2-naphthoic acid, C11H8O3 |
| Authors of publication | Smith, Mark G. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 6 |
| Pages of publication | 1113 - 1114 |
| a | 8.6478 ± 0.0008 Å |
| b | 5.2261 ± 0.0005 Å |
| c | 18.7921 ± 0.0018 Å |
| α | 90° |
| β | 94.518 ± 0.003° |
| γ | 90° |
| Cell volume | 846.66 ± 0.14 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0788 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.1007 |
| Weighted residual factors for all reflections included in the refinement | 0.1181 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287776 (current) | 2023-11-24 | cif/ Adding structures of 8107676 via cif-deposit CGI script. |
8107676.cif |
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Users of the data should acknowledge the original authors of the
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