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Information card for entry 7248110
Preview
Coordinates | 7248110.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H17 N3 S |
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Calculated formula | C23 H17 N3 S |
SMILES | S1c2c(N(c3c1cccc3)CC=C)ccc(c2)/C=C(c1ncccc1)\C#N |
Title of publication | A phenothiazine-functionalized pyridine-based AIEE-active molecule: a versatile molecular probe for highly sensitive detection of hypochlorite and picric acid |
Authors of publication | Vinayagam, Dhandapani; Subramanian, Karpagam |
Journal of publication | RSC Advances |
Year of publication | 2024 |
Journal volume | 14 |
Journal issue | 8 |
Pages of publication | 5149 - 5158 |
a | 9.3292 ± 0.0016 Å |
b | 14.298 ± 0.002 Å |
c | 14.191 ± 0.003 Å |
α | 90° |
β | 96.46 ± 0.006° |
γ | 90° |
Cell volume | 1880.9 ± 0.6 Å3 |
Cell temperature | 300 K |
Ambient diffraction temperature | 300 K |
Number of distinct elements | 4 |
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 | 0.1149 |
Residual factor for significantly intense reflections | 0.0547 |
Weighted residual factors for significantly intense reflections | 0.1015 |
Weighted residual factors for all reflections included in the refinement | 0.1283 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7248110.html
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Users of the data should acknowledge the original authors of the
structural data.