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Information card for entry 7242348
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Coordinates | 7242348.cif |
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Original paper (by DOI) | HTML |
Chemical name | 4,4''-Diphenoxy-2',5'-difluoro-1,1':4',1''-terphenyl |
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Formula | C30 H20 F2 O2 |
Calculated formula | C30 H20 F2 O2 |
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 | 13.5116 ± 0.0009 Å |
b | 5.865 ± 0.0004 Å |
c | 14.3546 ± 0.001 Å |
α | 90° |
β | 100.463 ± 0.004° |
γ | 90° |
Cell volume | 1118.62 ± 0.13 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0952 |
Residual factor for significantly intense reflections | 0.0647 |
Weighted residual factors for significantly intense reflections | 0.1791 |
Weighted residual factors for all reflections included in the refinement | 0.191 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.38 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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