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Information card for entry 7229842
Preview
Coordinates | 7229842.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H44 F2 N6 O12 |
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Calculated formula | C36 H44 F2 N6 O12 |
SMILES | c1(=O)c2cc(F)c(N3CC[NH2+]CC3)cc2n(CC)cc1C(=O)O.C(=O)(/C=C/C(=O)[O-])[O-].O.C(=O)(c1c(=O)c2c(n(CC)c1)cc(N1CC[NH2+]CC1)c(F)c2)O.O |
Title of publication | Diversity of crystal structures and physicochemical properties of ciprofloxacin and norfloxacin salts with fumaric acid |
Authors of publication | Surov, Artem O.; Voronin, Alexander P.; Drozd, Ksenia V.; Churakov, Andrei V.; Roussel, Pascal; Perlovich, German L. |
Journal of publication | CrystEngComm |
Year of publication | 2018 |
Journal volume | 20 |
Journal issue | 6 |
Pages of publication | 755 |
a | 6.7869 ± 0.0004 Å |
b | 9.3544 ± 0.0006 Å |
c | 15.73 ± 0.0009 Å |
α | 93.6351 ± 0.0009° |
β | 92.6297 ± 0.0009° |
γ | 110.917 ± 0.0009° |
Cell volume | 928.45 ± 0.1 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0418 |
Residual factor for significantly intense reflections | 0.0359 |
Weighted residual factors for significantly intense reflections | 0.0985 |
Weighted residual factors for all reflections included in the refinement | 0.1034 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
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/7229842.html
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Users of the data should acknowledge the original authors of the
structural data.