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Information card for entry 7115600
Preview
Coordinates | 7115600.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H9 F2 N3 O |
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Calculated formula | C12 H9 F2 N3 O |
SMILES | Fc1ccc(NC(=O)Nc2cccnc2)c(F)c1 |
Title of publication | Supramolecular pyridyl urea gels as soft matter with antibacterial properties against MRSA and/or E. coli |
Authors of publication | Komala Pandurangan; Jonathan A. Kitchen; Salvador Blasco; Francesca Paradisi; Thorfinnur Gunnlaugsson |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 10819 |
a | 3.7683 ± 0.0008 Å |
b | 27.238 ± 0.005 Å |
c | 10.409 ± 0.002 Å |
α | 90° |
β | 97.29 ± 0.03° |
γ | 90° |
Cell volume | 1059.8 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.084 |
Residual factor for significantly intense reflections | 0.0587 |
Weighted residual factors for significantly intense reflections | 0.1948 |
Weighted residual factors for all reflections included in the refinement | 0.2471 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.29 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7115600.html
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structural data.