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Information card for entry 7215689
Preview
Coordinates | 7215689.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Levofloxacin Monohydrate |
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Formula | C18 H22 F N3 O5 |
Calculated formula | C18 H22 F N3 O5 |
SMILES | Fc1cc2c(=O)c(cn3c2c(OC[C@@H]3C)c1N1CCN(CC1)C)C(=O)O.O |
Title of publication | New crystalline salt forms of levofloxacin: conformational analysis and attempts towards the crystal structure prediction of the anhydrous form |
Authors of publication | Singh, Shiv Shankar; Thakur, Tejender S. |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 20 |
Pages of publication | 4215 |
a | 6.745 ± 0.005 Å |
b | 13.836 ± 0.009 Å |
c | 18.393 ± 0.012 Å |
α | 90° |
β | 95.38 ± 0.011° |
γ | 90° |
Cell volume | 1709 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0768 |
Residual factor for significantly intense reflections | 0.061 |
Weighted residual factors for significantly intense reflections | 0.1431 |
Weighted residual factors for all reflections included in the refinement | 0.151 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71075 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/7215689.html
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