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Information card for entry 1551908
Preview
Coordinates | 1551908.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H13 B F2 N4 |
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Calculated formula | C15 H13 B F2 N4 |
SMILES | F[B]1(F)N(N=C(c2[n]1cccc2)C#N)c1c(cccc1C)C |
Title of publication | Suppression of Kasha's rule as a mechanism for fluorescent molecular rotors and aggregation-induced emission |
Authors of publication | Hai Qian; Morgan E. Cousins; Erik H. Horak; Audrey Wakefield; Matthew D. Liptak; Ivan Aprahamian |
Journal of publication | Nature Chemistry |
Year of publication | 2017 |
Journal volume | 9 |
Pages of publication | 83 - 87 |
a | 13.747 ± 0.002 Å |
b | 8.8403 ± 0.0013 Å |
c | 12.9567 ± 0.0018 Å |
α | 90° |
β | 114.796 ± 0.002° |
γ | 90° |
Cell volume | 1429.4 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173.15 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.087 |
Residual factor for significantly intense reflections | 0.0496 |
Weighted residual factors for significantly intense reflections | 0.1372 |
Weighted residual factors for all reflections included in the refinement | 0.1648 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
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/1551908.html
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