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Information card for entry 7054980
Preview
Coordinates | 7054980.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H18 N4 O6 S |
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Calculated formula | C19 H18 N4 O6 S |
SMILES | S(=O)(C)C.o1c(c2ccc(N(=O)=O)cc2)ccc1/C=N/Nc1ccc(cc1)N(=O)=O |
Title of publication | Colorimetric probes designed to provide high sensitivity and single selectivity for CN−in aqueous solution |
Authors of publication | Zhu, Xin; Lin, Qi; Lou, Jin-Chao; Lu, Tao-Tao; Zhang, You-Ming; Wei, Tai-Bao |
Journal of publication | New J. Chem. |
Year of publication | 2015 |
Journal volume | 39 |
Journal issue | 9 |
Pages of publication | 7206 |
a | 14.3506 ± 0.0015 Å |
b | 11.464 ± 0.0005 Å |
c | 13.8015 ± 0.0012 Å |
α | 90° |
β | 118.252 ± 0.012° |
γ | 90° |
Cell volume | 2000.1 ± 0.4 Å3 |
Cell temperature | 291.89 ± 0.1 K |
Ambient diffraction temperature | 291.89 ± 0.1 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 | 0.0978 |
Residual factor for significantly intense reflections | 0.0581 |
Weighted residual factors for significantly intense reflections | 0.1227 |
Weighted residual factors for all reflections included in the refinement | 0.1527 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
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/7054980.html
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