Information card for entry 7218475

Structure parameters

• Chemical name: (S)-2,2'-bis(2,3,5,6-tetrafluoro-4-iodophenoxy)-1,1'-binaphthalene
• Formula: C32 H12 F8 I2 O2
• Calculated formula: C32 H12 F8 I2 O2
• SMILES: Ic1c(F)c(F)c(Oc2ccc3ccccc3c2c2c(Oc3c(F)c(F)c(I)c(F)c3F)ccc3ccccc23)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: 8.9564 ± 0.0003 Å
• b: 13.3787 ± 0.0004 Å
• c: 23.5539 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2822.35 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P 21 c a
• Hall space group symbol: P -2ac 2a
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No