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Information card for entry 2103815
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| Coordinates | 2103815.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | Dianins compound-isobutyric acid |
|---|---|
| Chemical name | [4-p-hydroxyphenyl-2,2,4-trimethylchroman]-isobutyric acid |
| Formula | C112 H128 O14 |
| Calculated formula | C112.008 H120 O14.004 |
| Title of publication | An X-ray diffraction study of partially ordered electron density in clathrates of Dianin's compound that include simple carboxylic acids |
| Authors of publication | Small, Ronald W. H. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2003 |
| Journal volume | 59 |
| Journal issue | 1 |
| Pages of publication | 141 - 148 |
| a | 27.13 ± 0.02 Å |
| b | 27.13 ± 0.02 Å |
| c | 10.97 ± 0.01 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 6993 ± 10 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.078 |
| Residual factor for significantly intense reflections | 0.066 |
| Weighted residual factors for significantly intense reflections | 0.061 |
| Weighted residual factors for all reflections included in the refinement | 0.057 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.23 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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