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Information card for entry 2103812
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Coordinates | 2103812.cif |
---|---|
Original IUCr paper | HTML |
Common name | Dianins compound-propionic acid |
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Chemical name | [4-p-hydroxyphenyl-2,2,4-trimethylchroman]-propionic acid |
Formula | C111 H126 O14 |
Calculated formula | C111.006 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 | 27.24 ± 0.02 Å |
b | 27.24 ± 0.02 Å |
c | 10.96 ± 0.01 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 7043 ± 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 | 0.084 |
Residual factor for significantly intense reflections | 0.061 |
Weighted residual factors for significantly intense reflections | 0.058 |
Weighted residual factors for all reflections included in the refinement | 0.092 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2103812.html
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