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Information card for entry 7054268
Preview
Coordinates | 7054268.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H18 F6 N2 O2 S |
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Calculated formula | C15 H18 F6 N2 O2 S |
Title of publication | Synthesis and Structural Characterization of 1-Arylimidazole-2-thiones and N,N'-Aryldiethoxyethylthioureas with Electronically Diverse Substituents: A Manifold of Hydrogen Bonding Networks. |
Authors of publication | Palmer, Joshua H.; Parkin, Gerard |
Journal of publication | New journal of chemistry = Nouveau journal de chimie |
Year of publication | 2014 |
Journal volume | 38 |
Journal issue | 9 |
Pages of publication | 4071 - 4082 |
a | 12.5507 ± 0.0013 Å |
b | 13.4265 ± 0.0014 Å |
c | 21.715 ± 0.002 Å |
α | 90° |
β | 98.92 ± 0.002° |
γ | 90° |
Cell volume | 3615 ± 0.6 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0844 |
Residual factor for significantly intense reflections | 0.0509 |
Weighted residual factors for significantly intense reflections | 0.1153 |
Weighted residual factors for all reflections included in the refinement | 0.1331 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7054268.html
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