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Information card for entry 7240534
Preview
Coordinates | 7240534.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H27 F N4 O6 |
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Calculated formula | C24 H27 F N4 O6 |
SMILES | Fc1cc2C(=O)C(=CN(C3CC3)c2cc1N1CC[NH2+]CC1)C(=O)O.Nc1ccc(C(=O)[O-])cc1.O |
Title of publication | Ciprofloxacin salts with benzoic acid derivatives: structural aspects, solid-state properties and solubility performance |
Authors of publication | Surov, Artem Olegovich; Vasilev, Nikita; Voronin, Alexander P.; Andrei, Churakov; Emmerling, Franziska; Perlovich, German L. |
Journal of publication | CrystEngComm |
Year of publication | 2020 |
a | 21.457 ± 0.002 Å |
b | 14.4489 ± 0.0015 Å |
c | 7.37 ± 0.0008 Å |
α | 90° |
β | 90.013 ± 0.002° |
γ | 90° |
Cell volume | 2284.9 ± 0.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0652 |
Residual factor for significantly intense reflections | 0.0486 |
Weighted residual factors for significantly intense reflections | 0.1247 |
Weighted residual factors for all reflections included in the refinement | 0.1339 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
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/7240534.html
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Users of the data should acknowledge the original authors of the
structural data.