Information card for entry 2201504

Structure parameters

• Common name: Dicyanodurene‒p-tetrafluorodiiodobenzene (1/1)
• Chemical name: 2,3,5,6-tetramethyl-1,4-benzodicarbonitrile‒2,3,5,6-tetrafluoro-1,4- diiodobenzene (1/1)
• Formula: C18 H12 F4 I2 N2
• Calculated formula: C18 H12 F4 I2 N2
• SMILES: Fc1c(I)c(F)c(c(c1F)I)F.N#Cc1c(C)c(C)c(c(c1C)C)C#N
• Title of publication: Dicyanodurene‒<i>p</i>-tetrafluorodiiodobenzene (1/1)
• Authors of publication: Britton, Doyle; Gleason, William B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 12
• Pages of publication: o1375 - o1377
• a: 7.447 ± 0.002 Å
• b: 13.657 ± 0.004 Å
• c: 9.642 ± 0.002 Å
• α: 90°
• β: 94.19 ± 0.01°
• γ: 90°
• Cell volume: 978 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.034
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes