Information card for entry 7242348

Structure parameters

• Chemical name: 4,4''-Diphenoxy-2',5'-difluoro-1,1':4',1''-terphenyl
• 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 ų
• 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