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Information card for entry 8107679
Preview
| Coordinates | 8107679.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H10 O2 |
|---|---|
| Calculated formula | C10 H10 O2 |
| SMILES | c1c(ccc2CCCC(=O)c12)O |
| Title of publication | Crystal structure of 7-hydroxy-3,4-dihydronaphthalen-1(2H)-one, C10H10O2 |
| Authors of publication | Jiang, Boye; Hou, Yun; Zhao, Feng-Lan; Meng, Qing-Guo |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 6 |
| Pages of publication | 1123 - 1125 |
| a | 16.6341 ± 0.0014 Å |
| b | 7.4319 ± 0.0004 Å |
| c | 14.8943 ± 0.001 Å |
| α | 90° |
| β | 123.243 ± 0.008° |
| γ | 90° |
| Cell volume | 1540 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0431 |
| Residual factor for significantly intense reflections | 0.0371 |
| Weighted residual factors for significantly intense reflections | 0.0947 |
| Weighted residual factors for all reflections included in the refinement | 0.0997 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287779 (current) | 2023-11-24 | cif/ Adding structures of 8107679 via cif-deposit CGI script. |
8107679.cif |
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