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Information card for entry 2008534
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| Coordinates | 2008534.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 2-Acetyl-6-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl 4-toluenesulfonate |
|---|---|
| Formula | C25 H24 O4 S |
| Calculated formula | C25 H24 O4 S |
| SMILES | S(=O)(=O)(Oc1c(ccc2CC(CCc12)c1ccccc1)C(=O)C)c1ccc(cc1)C |
| Title of publication | 2-Acetyl-6-phenyl-5,6,7,8-tetrahydro-1-naphthyl <i>p</i>-toluenesulfonate |
| Authors of publication | Chinnakali, Kandasamy; Fun, Hoong-Kun; Sriraghavan, Kamaraj; Ramakrishnan, Vayalakkavoor T. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 6 |
| Pages of publication | 944 - 946 |
| a | 7.9607 ± 0.0002 Å |
| b | 9.9649 ± 0.0002 Å |
| c | 14.2553 ± 0.0003 Å |
| α | 86.208 ± 0.001° |
| β | 79.818 ± 0.001° |
| γ | 73.889 ± 0.001° |
| Cell volume | 1069.14 ± 0.04 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.123 |
| Residual factor for significantly intense reflections | 0.07 |
| Weighted residual factors for all reflections included in the refinement | 0.195 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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