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Information card for entry 7242347
Preview
Coordinates | 7242347.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H10 F4 |
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Calculated formula | C18 H10 F4 |
Title of publication | Exploration of CH⋯F & CF⋯H mediated supramolecular arrangements into fluorinated terphenyls and theoretical prediction of their third-order nonlinear optical response |
Authors of publication | Adeel, Muhammad; Khalid, Muhammad; Ullah, Malik Aman; Muhammad, Shabbir; Khan, Muhammad Usman; Tahir, Muhammad Nawaz; Khan, Ilham; Asghar, Muhammad; Mughal, Khawar Shahzad |
Journal of publication | RSC Advances |
Year of publication | 2021 |
Journal volume | 11 |
Journal issue | 14 |
Pages of publication | 7766 - 7778 |
a | 3.8023 ± 0.0006 Å |
b | 6.168 ± 0.001 Å |
c | 14.583 ± 0.002 Å |
α | 98.324 ± 0.01° |
β | 95.514 ± 0.009° |
γ | 95.661 ± 0.009° |
Cell volume | 334.63 ± 0.09 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1248 |
Residual factor for significantly intense reflections | 0.0672 |
Weighted residual factors for significantly intense reflections | 0.164 |
Weighted residual factors for all reflections included in the refinement | 0.1876 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
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/7242347.html
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Users of the data should acknowledge the original authors of the
structural data.