Information card for entry 7211201

Structure parameters

• Formula: C48 H55 F4 I N2 O2
• Calculated formula: C48 H55 F4 I N2 O2
• Title of publication: 1 : 1 and 2 : 1 co-crystals of alkoxystilbazoles with tetrafluoroiodobenzenes: halogen bonding, a rare Carene–H⋯N hydrogen bond and unsymmetric iodine⋯pyridine interactions
• Authors of publication: Präsang, Carsten; McAllister, Linda J.; Whitwood, Adrian C.; Bruce, Duncan W.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 44
• Pages of publication: 8947
• a: 7.6705 ± 0.0002 Å
• b: 11.9764 ± 0.0005 Å
• c: 13.1845 ± 0.0005 Å
• α: 67.842 ± 0.004°
• β: 87.532 ± 0.003°
• γ: 72.143 ± 0.003°
• Cell volume: 1064.08 ± 0.08 ų
• Cell temperature: 109.95 ± 0.1 K
• Ambient diffraction temperature: 109.95 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No