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Information card for entry 1508758
Preview
Coordinates | 1508758.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H17 N4 S |
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Calculated formula | C26 H17 N4 S |
SMILES | C1(c2ccccc2)=NN(c2c(cc3c(c2)sc(c2ccccc2)n3)[N]1)c1ccccc1 |
Title of publication | From Blatter radical to 7-substituted 1,3-diphenyl-1,4-dihydrothiazolo[5',4':4,5]benzo[1,2-e][1,2,4]triazin-4-yls: toward multifunctional materials. |
Authors of publication | Berezin, Andrey A.; Constantinides, Christos P.; Drouza, Chryssoula; Manoli, Maria; Koutentis, Panayiotis A. |
Journal of publication | Organic letters |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 21 |
Pages of publication | 5586 - 5589 |
a | 9.3437 ± 0.0017 Å |
b | 10.538 ± 0.002 Å |
c | 11.5632 ± 0.0015 Å |
α | 105.416 ± 0.015° |
β | 94.821 ± 0.013° |
γ | 114.063 ± 0.019° |
Cell volume | 978 ± 0.4 Å3 |
Cell temperature | 100.05 ± 0.1 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0708 |
Residual factor for significantly intense reflections | 0.0558 |
Weighted residual factors for significantly intense reflections | 0.1496 |
Weighted residual factors for all reflections included in the refinement | 0.1723 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/1508758.html
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