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Information card for entry 7219135
Preview
Coordinates | 7219135.cif |
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Original paper (by DOI) | HTML |
Common name | Lamivudine_Hydrofluoride |
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Formula | C8 H13 F2 N3 O3 S |
Calculated formula | C8 H13 F2 N3 O3 S |
SMILES | [C@H]1(CS[C@H](CO)O1)N1C(=O)[NH+]=C(C=C1)N.F.[F-] |
Title of publication | Isostructurality and the conformational role of the 2′,3′-moieties in the diversity of lamivudine crystal forms probed in halide salts |
Authors of publication | Tenorio Clavijo, Juan Carlos; Guimarães, Freddy Fernandes; Ellena, Javier; Martins, Felipe Terra |
Journal of publication | CrystEngComm |
Year of publication | 2015 |
Journal volume | 17 |
Journal issue | 28 |
Pages of publication | 5187 |
a | 5.3598 ± 0.0001 Å |
b | 12.0206 ± 0.0004 Å |
c | 8.6306 ± 0.0003 Å |
α | 90° |
β | 104.55 ± 0.001° |
γ | 90° |
Cell volume | 538.22 ± 0.03 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.034 |
Residual factor for significantly intense reflections | 0.0313 |
Weighted residual factors for significantly intense reflections | 0.074 |
Weighted residual factors for all reflections included in the refinement | 0.0757 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
Diffraction radiation probe | x-ray |
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/7219135.html
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Users of the data should acknowledge the original authors of the
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