Information card for entry 1504366

Structure parameters

• Formula: C16 H8 F6 N2 O
• Calculated formula: C16 H8 F6 N2 O
• SMILES: o1c(nnc1c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F
• Title of publication: Syntheses, Solid State Structures, and Electrical Properties of Oxadiazole-Based Oligomers with Perfluorinated Endgroups
• Authors of publication: Landis, Chad A.; Dhar, Bal Mukund; Lee, Taegweon; Sarjeant, Amy; Katz, Howard E.
• Journal of publication: Journal of Physical Chemistry C
• Year of publication: 2008
• Journal volume: 112
• Journal issue: 21
• Pages of publication: 7939
• a: 15.064 ± 0.003 Å
• b: 5.9041 ± 0.0005 Å
• c: 32.08 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2853.2 ± 0.9 ų
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No