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Information card for entry 7249003
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Coordinates | 7249003.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 3-fluoroazopyridine adduct of phenylboronic acid catechol ester |
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Formula | C34 H24 B2 F2 N4 O4 |
Calculated formula | C34 H24 B2 F2 N4 O4 |
Title of publication | Co-crystal formation vs. boron coordination: fluorination in azopyridines regulates supramolecular competition |
Authors of publication | Loya, Jesus Daniel; Agarwal, Sidhaesh A.; Lutz, Nicholas; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo |
Journal of publication | CrystEngComm |
Year of publication | 2024 |
Journal volume | 26 |
Journal issue | 30 |
Pages of publication | 4017 - 4021 |
a | 6.871 ± 0.0003 Å |
b | 13.0541 ± 0.0006 Å |
c | 15.9373 ± 0.0007 Å |
α | 90° |
β | 97.627 ± 0.004° |
γ | 90° |
Cell volume | 1416.85 ± 0.11 Å3 |
Cell temperature | 99.9 ± 0.6 K |
Ambient diffraction temperature | 99.9 ± 0.6 K |
Number of distinct elements | 6 |
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 | 0.0637 |
Residual factor for significantly intense reflections | 0.0508 |
Weighted residual factors for significantly intense reflections | 0.1356 |
Weighted residual factors for all reflections included in the refinement | 0.1436 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
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/7249003.html
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