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Information card for entry 4133389
Preview
Coordinates | 4133389.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H17 N3 O3 S |
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Calculated formula | C16 H17 N3 O3 S |
SMILES | S(=O)(=O)([O-])C.N(/C=C(/c1[nH+]cccc1)C#N)Cc1ccccc1 |
Title of publication | Multistimuli-Responsive Enaminitrile Molecular Switches Displaying H<sup>+</sup>-Induced Aggregate Emission, Metal Ion-Induced Turn-On Fluorescence, and Organogelation Properties. |
Authors of publication | Ren, Yansong; Xie, Sheng; Svensson Grape, Erik; Inge, A. Ken; Ramström, Olof |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2018 |
Journal volume | 140 |
Journal issue | 42 |
Pages of publication | 13640 - 13643 |
a | 5.451 ± 0.004 Å |
b | 39.24 ± 0.03 Å |
c | 7.731 ± 0.006 Å |
α | 90° |
β | 95.806 ± 0.008° |
γ | 90° |
Cell volume | 1645 ± 2 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.2465 |
Residual factor for significantly intense reflections | 0.1365 |
Weighted residual factors for significantly intense reflections | 0.2978 |
Weighted residual factors for all reflections included in the refinement | 0.3255 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.504 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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