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Information card for entry 7225168
Preview
Coordinates | 7225168.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | tetrahydrate |
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Chemical name | Sitagliptin L-tartrate tetrahydrate |
Formula | C20 H20 F6 N5 O11.227 |
Calculated formula | C20 H20 F6 N5 O11.22 |
Title of publication | Studies on the crystal structure and arrangement of water in sitagliptinl-tartrate hydrates |
Authors of publication | Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Dušek, Michal; Rohlíček, Jan; Skořepová, Eliška; Brázda, Petr |
Journal of publication | CrystEngComm |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 21 |
Pages of publication | 3819 |
a | 45.2368 ± 0.0004 Å |
b | 8.2403 ± 0.0004 Å |
c | 7.1817 ± 0.0018 Å |
α | 90° |
β | 95.326 ± 0.004° |
γ | 90° |
Cell volume | 2665.5 ± 0.7 Å3 |
Cell temperature | 119.98 ± 0.1 K |
Ambient diffraction temperature | 120 K |
Number of distinct elements | 5 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0716 |
Residual factor for significantly intense reflections | 0.0669 |
Weighted residual factors for significantly intense reflections | 0.1678 |
Weighted residual factors for all reflections included in the refinement | 0.1707 |
Goodness-of-fit parameter for significantly intense reflections | 2.51 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.42 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7225168.html
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