Information card for entry 7205663
| Formula |
C8 H10 N2 O6 |
| Calculated formula |
C8 H10 N2 O6 |
| SMILES |
C(=O)([C@@H]([C@H](C(=O)O)O)O)O.c1cnccn1 |
| Title of publication |
Supramolecular metathesis: co-former exchange in co-crystals of pyrazine with (R,R)-, (S,S)-, (R,S)- and (S,S/R,R)-tartaric acid |
| Authors of publication |
Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I. |
| Journal of publication |
CrystEngComm |
| Year of publication |
2011 |
| Journal volume |
13 |
| Journal issue |
9 |
| Pages of publication |
3122 |
| a |
4.9179 ± 0.0005 Å |
| b |
5.4897 ± 0.0007 Å |
| c |
9.5322 ± 0.0011 Å |
| α |
92.426 ± 0.009° |
| β |
102.087 ± 0.009° |
| γ |
94.81 ± 0.009° |
| Cell volume |
250.28 ± 0.05 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
1 |
| Hermann-Mauguin space group symbol |
P 1 |
| Hall space group symbol |
P 1 |
| Residual factor for all reflections |
0.0629 |
| Residual factor for significantly intense reflections |
0.0375 |
| Weighted residual factors for all reflections included in the refinement |
0.0737 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.804 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7205663.html
