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Information card for entry 2007066
Preview
| Coordinates | 2007066.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 2-Acetyl-5,8-dihydronaphthalene-1-ol |
|---|---|
| Formula | C12 H12 O2 |
| Calculated formula | C12 H12 O2 |
| SMILES | O=C(c1ccc2c(c1O)CC=CC2)C |
| Title of publication | 2-Acetyl-5,8-dihydronaphthalen-1-ol |
| Authors of publication | Chinnakali, Kandasamy; Fun, Hoong-Kun; Sriraghavan, Kamaraj; Ramakrishnan, Vaylakkavoor T. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 3 |
| Pages of publication | 370 - 371 |
| a | 8.9674 ± 0.0008 Å |
| b | 9.0604 ± 0.0009 Å |
| c | 11.8823 ± 0.0011 Å |
| α | 90° |
| β | 96.087 ± 0.008° |
| γ | 90° |
| Cell volume | 959.97 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.077 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for all reflections | 0.124 |
| Weighted residual factors for significantly intense reflections | 0.109 |
| Goodness-of-fit parameter for all reflections | 0.881 |
| Goodness-of-fit parameter for significantly intense reflections | 1.087 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.