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Information card for entry 7228742
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Coordinates | 7228742.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 14DBrPB-FA |
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Formula | C22 H10 Br2 F4 |
Calculated formula | C22 H10 Br2 F4 |
SMILES | Brc1c(F)c(F)c(Br)c(F)c1F.c12c3ccccc3c3cccc(ccc1)c23 |
Title of publication | Interactions between haloperfluorobenzenes and fluoranthene in luminescent cocrystals from π‒hole···π to σ‒hole···π bonds |
Authors of publication | Li, Li Li; Wang, Hui; Wang, Weizhou; Jin, Wei Jun |
Journal of publication | CrystEngComm |
Year of publication | 2017 |
a | 7.2059 ± 0.0005 Å |
b | 8.3166 ± 0.0005 Å |
c | 14.8296 ± 0.0012 Å |
α | 90.772 ± 0.006° |
β | 92.296 ± 0.006° |
γ | 91.587 ± 0.005° |
Cell volume | 887.57 ± 0.11 Å3 |
Cell temperature | 150 ± 0.1 K |
Ambient diffraction temperature | 150 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0786 |
Residual factor for significantly intense reflections | 0.0489 |
Weighted residual factors for significantly intense reflections | 0.0829 |
Weighted residual factors for all reflections included in the refinement | 0.098 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.985 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7228742.html
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