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Information card for entry 4512416
Preview
Coordinates | 4512416.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H26 F6 N6 O4 |
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Calculated formula | C36 H26 F6 N6 O4 |
SMILES | c1cc(ccn1)c1ccncc1.FC(F)(F)c1cc(Nc2ncccc2C(=O)O)ccc1.FC(F)(F)c1cc(Nc2ncccc2C(=O)O)ccc1 |
Title of publication | Fenamate Cocrystals with 4,4′-Bipyridine: Structural and Thermodynamic Aspects |
Authors of publication | Surov, Artem O.; Simagina, Anna A.; Manin, Nikolay G.; Kuzmina, Lyudmila G.; Churakov, Andrei V.; Perlovich, German L. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2015 |
Journal volume | 15 |
Journal issue | 1 |
Pages of publication | 228 |
a | 26 ± 0.004 Å |
b | 6.7394 ± 0.001 Å |
c | 19.854 ± 0.003 Å |
α | 90° |
β | 111.386 ± 0.002° |
γ | 90° |
Cell volume | 3239.4 ± 0.8 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0567 |
Residual factor for significantly intense reflections | 0.0423 |
Weighted residual factors for significantly intense reflections | 0.1026 |
Weighted residual factors for all reflections included in the refinement | 0.1115 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
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/4512416.html
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