Information card for entry 7218474

Structure parameters

• Chemical name: (1R,2R)-1,2-diphenyl-1,2-bis (2,3,5,6-tetrafluoro-4-iodophenoxy)ethane
• Formula: C26 H12 F8 I2 O2
• Calculated formula: C26 H12 F8 I2 O2
• SMILES: Ic1c(F)c(F)c(O[C@H](c2ccccc2)[C@H](Oc2c(F)c(F)c(I)c(F)c2F)c2ccccc2)c(F)c1F
• Title of publication: Halogen-bonded halide networks from chiral neutral spacers
• Authors of publication: Lieffrig, Julien; Niassy, Arnode G.; Jeannin, Olivier; Fourmigué, Marc
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 1
• Pages of publication: 50
• a: 8.0352 ± 0.0002 Å
• b: 16.1215 ± 0.0003 Å
• c: 20.0537 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2597.75 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No