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Information card for entry 7054270
Preview
Coordinates | 7054270.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H26 N2 O5 S |
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Calculated formula | C16 H26 N2 O5 S |
SMILES | S=C(NCC(OCC)OCC)Nc1cc(OC)c(OC)c(OC)c1 |
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 | 10.344 ± 0.003 Å |
b | 12.952 ± 0.004 Å |
c | 13.814 ± 0.004 Å |
α | 95.357 ± 0.004° |
β | 95.836 ± 0.004° |
γ | 92.996 ± 0.004° |
Cell volume | 1829.5 ± 0.9 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 | 0.1013 |
Residual factor for significantly intense reflections | 0.0498 |
Weighted residual factors for significantly intense reflections | 0.1144 |
Weighted residual factors for all reflections included in the refinement | 0.1356 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
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/7054270.html
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