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Information card for entry 4032261
Preview
Coordinates | 4032261.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H32 B Cl3 F2 N4 O3 |
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Calculated formula | C45 H32 B Cl3 F2 N4 O3 |
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 | 10.3829 ± 0.0009 Å |
b | 14.3659 ± 0.0014 Å |
c | 15.0975 ± 0.0014 Å |
α | 75.674 ± 0.007° |
β | 89.346 ± 0.007° |
γ | 78.359 ± 0.007° |
Cell volume | 2135.3 ± 0.4 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 | 0.1289 |
Residual factor for significantly intense reflections | 0.1046 |
Weighted residual factors for significantly intense reflections | 0.3218 |
Weighted residual factors for all reflections included in the refinement | 0.3413 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.28 |
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/4032261.html
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