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Information card for entry 4035247
Preview
Coordinates | 4035247.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H13 B F3 N3 O S |
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Calculated formula | C16 H13 B F3 N3 O S |
SMILES | CN(C)c1ccc(cc1)C1=Nc2[n](c3c(cc(F)cc3)s2)[B](O1)(F)F |
Title of publication | Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinines: Synthesis, Structural, and Photophysical Properties. |
Authors of publication | Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Ceborska, Magdalena; Cmoch, Piotr; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2018 |
Journal volume | 83 |
Journal issue | 19 |
Pages of publication | 12129 - 12142 |
a | 7.908 ± 0.0001 Å |
b | 7.908 ± 0.0001 Å |
c | 25.1636 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1573.64 ± 0.04 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 76 |
Hermann-Mauguin space group symbol | P 41 |
Hall space group symbol | P 4w |
Residual factor for all reflections | 0.0589 |
Residual factor for significantly intense reflections | 0.056 |
Weighted residual factors for significantly intense reflections | 0.1403 |
Weighted residual factors for all reflections included in the refinement | 0.1424 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
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/4035247.html
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Users of the data should acknowledge the original authors of the
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