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Information card for entry 4507623
Preview
Coordinates | 4507623.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H26 F N3 O7 |
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Calculated formula | C23 H26 F N3 O7 |
SMILES | c1(c(=O)c2cc(c(cc2n(c1)C1CC1)N1CC[NH+](CC1)CC)F)C(=O)O.C(=O)(/C=C\C(=O)[O-])O |
Title of publication | Structural Landscape of Pure Enrofloxacin and Its Novel Salts: Enhanced Solubility for Better Pharmaceutical Applicability |
Authors of publication | Karanam, Maheswararao; Choudhury, Angshuman Roy |
Journal of publication | Crystal Growth & Design |
Year of publication | 2013 |
Journal volume | 13 |
Journal issue | 4 |
Pages of publication | 1626 |
a | 7.0956 ± 0.0007 Å |
b | 12.4527 ± 0.0012 Å |
c | 13.072 ± 0.0015 Å |
α | 87.337 ± 0.007° |
β | 75.913 ± 0.007° |
γ | 84.671 ± 0.007° |
Cell volume | 1115.1 ± 0.2 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 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 | 0.1892 |
Residual factor for significantly intense reflections | 0.068 |
Weighted residual factors for significantly intense reflections | 0.136 |
Weighted residual factors for all reflections included in the refinement | 0.1918 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.935 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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