Information card for entry 7211198

Structure parameters

• Formula: C25 H24 F4 I N O
• Calculated formula: C25 H24 F4 I N O
• SMILES: n1ccc(cc1)/C=C/c1ccc(cc1)OCCCCCC.c1(c(c(c(c(c1)F)F)F)F)I
• 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: 8.8395 ± 0.0005 Å
• b: 12.9338 ± 0.0007 Å
• c: 20.8991 ± 0.0011 Å
• α: 90°
• β: 101.784 ± 0.001°
• γ: 90°
• Cell volume: 2339 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0236
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No