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Information card for entry 7221547
Preview
Coordinates | 7221547.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H9 F12 N5 O |
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Calculated formula | C20 H9 F12 N5 O |
SMILES | FC(F)(F)c1cc(nc2nc(Nc3nc4nc(cc(C(F)(F)F)c4cc3)C(F)(F)F)ccc12)C(F)(F)F.O |
Title of publication | Crystalline transformations of dinaphthyridinylamine derivatives with alteration of solid-state emission in response to external stimuli |
Authors of publication | Hagihara, Ryusuke; Harada, Naomi; Karasawa, Satoru; Koga, Noboru |
Journal of publication | CrystEngComm |
Year of publication | 2015 |
Journal volume | 17 |
Journal issue | 46 |
Pages of publication | 8825 |
a | 4.789 ± 0.004 Å |
b | 25.136 ± 0.019 Å |
c | 17.087 ± 0.013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2057 ± 3 Å3 |
Cell temperature | 90 K |
Ambient diffraction temperature | 90 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.117 |
Residual factor for significantly intense reflections | 0.0717 |
Weighted residual factors for significantly intense reflections | 0.1552 |
Weighted residual factors for all reflections included in the refinement | 0.1719 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
Diffraction radiation wavelength | 0.71075 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/7221547.html
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Users of the data should acknowledge the original authors of the
structural data.