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Information card for entry 2106008
Preview
| Coordinates | 2106008.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | HNA |
|---|---|
| Formula | C11 H8 O3 |
| Calculated formula | C11 H8 O3 |
| SMILES | OC(=O)c1c(O)c2ccccc2cc1 |
| Title of publication | A new polymorph of 1-hydroxy-2-naphthoic acid obtained during failed co-crystallization experiments |
| Authors of publication | Zhang, Qi; Li, Meiqi; Mei, Xuefeng |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 1 |
| a | 20.92 ± 0.005 Å |
| b | 6.9926 ± 0.0014 Å |
| c | 14.688 ± 0.003 Å |
| α | 90° |
| β | 125.339 ± 0.01° |
| γ | 90° |
| Cell volume | 1752.7 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1018 |
| Residual factor for significantly intense reflections | 0.0683 |
| Weighted residual factors for significantly intense reflections | 0.1902 |
| Weighted residual factors for all reflections included in the refinement | 0.2263 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176768 (current) | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10. |
2106008.cif |
| 130018 | 2015-01-22 | cif/ hkl/ Adding structures of 2106007, 2106008 via cif-deposit CGI script. |
2106008.cif |
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Users of the data should acknowledge the original authors of the
structural data.