Information card for entry 7235104
| Common name |
RS-naproxen L-proline 1:1 cocrystal, polymorph III |
| Chemical name |
(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid bis((2S)-pyrrolidin-1-ium-2-carboxylate), polymorph III |
| Formula |
C38 H46 N2 O10 |
| Calculated formula |
C38 H46 N2 O10 |
| Title of publication |
Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals |
| Authors of publication |
Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom |
| Journal of publication |
CrystEngComm |
| Year of publication |
2018 |
| Journal volume |
20 |
| Journal issue |
45 |
| Pages of publication |
7308 |
| a |
12.705 ± 0.002 Å |
| b |
5.7631 ± 0.0008 Å |
| c |
25 ± 0.005 Å |
| α |
90° |
| β |
95.041 ± 0.011° |
| γ |
90° |
| Cell volume |
1823.4 ± 0.5 Å3 |
| Cell temperature |
402 K |
| Ambient diffraction temperature |
402 K |
| Number of distinct elements |
4 |
| Space group number |
4 |
| Hermann-Mauguin space group symbol |
P 1 21 1 |
| Hall space group symbol |
P 2yb |
| Residual factor R(I) for significantly intense reflections |
7.117 |
| Goodness-of-fit parameter for all reflections |
62.48 |
| Method of determination |
powder diffraction |
| Diffraction radiation wavelength |
0.78487 Å |
| Diffraction radiation type |
synchrotron |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7235104.html
