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Information card for entry 4032260
Preview
Coordinates | 4032260.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H26 B F2 N3 O2 S2 |
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Calculated formula | C38 H26 B F2 N3 O2 S2 |
Title of publication | Synthesis and Spectroscopic Investigation of a Series of Push-Pull Boron Dipyrromethenes (BODIPYs). |
Authors of publication | Xuan, Sunting; Zhao, Ning; Ke, Xiangyi; Zhou, Zehua; Fronczek, Frank R.; Kadish, Karl M.; Smith, Kevin M.; Vicente, M Graça H |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 5 |
Pages of publication | 2545 - 2557 |
a | 9.8322 ± 0.0008 Å |
b | 13.3203 ± 0.0011 Å |
c | 15.0587 ± 0.0012 Å |
α | 72.208 ± 0.006° |
β | 74.473 ± 0.006° |
γ | 81.456 ± 0.006° |
Cell volume | 1804.5 ± 0.3 Å3 |
Cell temperature | 90 ± 0.5 K |
Ambient diffraction temperature | 90 ± 0.5 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1056 |
Residual factor for significantly intense reflections | 0.0616 |
Weighted residual factors for significantly intense reflections | 0.153 |
Weighted residual factors for all reflections included in the refinement | 0.17 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4032260.html
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