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Information card for entry 7115683
Preview
Coordinates | 7115683.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H44 B2 F4 N6 O2 |
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Calculated formula | C44 H44 B2 F4 N6 O2 |
SMILES | c1c2n3[B]([n]4cccc(c4N=c3c(c2cc2n3[B]([n]4cccc(c4N=c3c(c3ccccc3)c12)OCCCCCC)(F)F)c1ccccc1)OCCCCCC)(F)F |
Title of publication | Synthesis and optophysical properties of dimeric aza-BODIPY dyes with a push-pull benzodipyrrolidone core |
Authors of publication | Yafei Wang; Long Chen; Reda M. El-Shishtawy; Saadullah G. Aziz; Klaus Mullen |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 11540 |
a | 11.4702 ± 0.0006 Å |
b | 13.147 ± 0.0006 Å |
c | 14.9642 ± 0.0008 Å |
α | 113.625 ± 0.004° |
β | 95.348 ± 0.004° |
γ | 105.167 ± 0.004° |
Cell volume | 1944.7 ± 0.2 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1031 |
Residual factor for significantly intense reflections | 0.0603 |
Weighted residual factors for significantly intense reflections | 0.1536 |
Weighted residual factors for all reflections included in the refinement | 0.1794 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.909 |
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/7115683.html
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