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Information card for entry 7114295
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Coordinates | 7114295.cif |
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Original paper (by DOI) | HTML |
Common name | Benzaldehyde pentafluoromethylidenehydrazone |
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Formula | C14 H7 F5 N2 |
Calculated formula | C14 H7 F5 N2 |
SMILES | Fc1c(F)c(F)c(F)c(F)c1/C=N/N=C/c1ccccc1 |
Title of publication | Interplay of phenyl–perfluorophenyl stacking, C–H⋯F, C–F⋯π and F⋯F interactions in some crystalline aromatic azinesElectronic supplementary information (ESI) available: experimental powder X-ray diffraction spectra. See http://www.rsc.org/suppdata/cc/b2/b202181a/ |
Authors of publication | Vangala, Venu R.; Nangia, Ashwini; Lynch, Vincent M. |
Journal of publication | Chemical Communications |
Year of publication | 2002 |
Journal issue | 12 |
Pages of publication | 1304 |
a | 5.9053 ± 0.0002 Å |
b | 7.4709 ± 0.0003 Å |
c | 14.354 ± 0.0005 Å |
α | 102.927 ± 0.002° |
β | 92.143 ± 0.002° |
γ | 91.222 ± 0.002° |
Cell volume | 616.5 ± 0.04 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 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 | 0.0567 |
Residual factor for significantly intense reflections | 0.0416 |
Weighted residual factors for significantly intense reflections | 0.1013 |
Weighted residual factors for all reflections included in the refinement | 0.1094 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
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/7114295.html
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