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Information card for entry 7216952
Preview
Coordinates | 7216952.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H16 N2 O2 S |
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Calculated formula | C12 H16 N2 O2 S |
SMILES | S=C(NC(=O)c1occc1)NC1CCCCC1 |
Title of publication | Aroylthioureas: new organic ionophores for heavy-metal ion selective electrodes |
Authors of publication | Otazo-Sánchez, Elena; Pérez-Marín, Leonel; Estévez-Hernández, Osvaldo; Rojas-Lima, Susana; Alonso-Chamarro, Julián |
Journal of publication | Journal of the Chemical Society, Perkin Transactions 2 |
Year of publication | 2001 |
Journal issue | 11 |
Pages of publication | 2211 |
a | 7.3964 ± 0.0006 Å |
b | 10.3444 ± 0.0009 Å |
c | 34.536 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2642.4 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0444 |
Residual factor for significantly intense reflections | 0.0313 |
Weighted residual factors for significantly intense reflections | 0.077 |
Weighted residual factors for all reflections included in the refinement | 0.0819 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
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/7216952.html
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