Information card for entry 2018812
| Chemical name |
2,3,6,7,10,11-Hexahydroxytriphenylene methanol monosolvate |
| Formula |
C19 H16 O7 |
| Calculated formula |
C19 H16 O7 |
| SMILES |
Oc1cc2c(cc1O)c1cc(O)c(cc1c1c2cc(O)c(c1)O)O.OC |
| Title of publication |
A new methanol solvate and Hirshfeld analysis of π-stacking in 2,3,6,7,10,11-hexahydroxytriphenylene solvates |
| Authors of publication |
Karmakar, Anirban; Platero-Prats, Ana E.; Öhrström, Lars |
| Journal of publication |
Acta Crystallographica Section C |
| Year of publication |
2013 |
| Journal volume |
69 |
| Journal issue |
3 |
| Pages of publication |
251 - 254 |
| a |
7.5894 ± 0.0007 Å |
| b |
10.55 ± 0.001 Å |
| c |
11.238 ± 0.002 Å |
| α |
62.88 ± 0.01° |
| β |
71.89 ± 0.01° |
| γ |
77.782 ± 0.009° |
| Cell volume |
758.6 ± 0.18 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 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 |
0.0956 |
| Residual factor for significantly intense reflections |
0.0525 |
| Weighted residual factors for significantly intense reflections |
0.0927 |
| Weighted residual factors for all reflections included in the refinement |
0.1141 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.974 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
Yes |
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https://www.crystallography.net/2018812.html
