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Information card for entry 2007062
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| Coordinates | 2007062.cif |
|---|---|
| Structure factors | 2007062.hkl |
| Original IUCr paper | HTML |
| Chemical name | 6-Acety-3,7-diacetoxy-2,2-dimethyl-2H-benzopyran |
|---|---|
| Formula | C17 H20 O6 |
| Calculated formula | C17 H20 O6 |
| SMILES | O1C(C(OC(=O)C)Cc2cc(c(OC(=O)C)cc12)C(=O)C)(C)C |
| Title of publication | 6-Acetyl-3,4-dihydro-2,2-dimethyl-2<i>H</i>-benzopyran-3,7-diyl Diacetate |
| Authors of publication | Jha, Amitaba; Malhotra, Sanjay; Parmar, Virinder S; Errington, William |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 3 |
| Pages of publication | 361 - 363 |
| a | 5.565 ± 0.0007 Å |
| b | 11.9277 ± 0.0014 Å |
| c | 12.7732 ± 0.0015 Å |
| α | 77.935 ± 0.003° |
| β | 84.163 ± 0.003° |
| γ | 79.965 ± 0.003° |
| Cell volume | 814.56 ± 0.17 Å3 |
| Cell temperature | 190 ± 2 K |
| Ambient diffraction temperature | 190 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.079 |
| Residual factor for significantly intense reflections | 0.052 |
| Weighted residual factors for all reflections included in the refinement | 0.14 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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