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Information card for entry 7235091
Preview
Coordinates | 7235091.cif |
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Original paper (by DOI) | HTML |
Common name | S-naproxen ethanol solvate |
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Chemical name | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid; ethanol |
Formula | C16 H20 O4 |
Calculated formula | C16 H20 O4 |
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 | 5.9273 ± 0.0002 Å |
b | 8.7713 ± 0.0005 Å |
c | 28.0747 ± 0.0015 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1459.61 ± 0.12 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 3 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0513 |
Residual factor for significantly intense reflections | 0.0424 |
Weighted residual factors for significantly intense reflections | 0.1029 |
Weighted residual factors for all reflections included in the refinement | 0.1103 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
Diffraction radiation wavelength | 0.71073 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/7235091.html
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structural data.