Information card for entry 4516294

Structure parameters

• Formula: C26 H10 F8 I4
• Calculated formula: C26 H10 F8 I4
• SMILES: c1(c(c(c(c(c1F)I)F)F)I)F.c1ccc(C#Cc2ccccc2)cc1.c1(c(c(c(c(c1F)I)F)F)I)F
• Title of publication: Tipping the Balance with the Aid of Stoichiometry: Room Temperature Phosphorescence versus Fluorescence in Organic Cocrystals
• Authors of publication: d’Agostino, Simone; Grepioni, Fabrizia; Braga, Dario; Ventura, Barbara
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 4
• Pages of publication: 2039
• a: 22.1118 ± 0.0006 Å
• b: 14.3288 ± 0.0004 Å
• c: 8.6508 ± 0.0002 Å
• α: 90°
• β: 90.657 ± 0.002°
• γ: 90°
• Cell volume: 2740.7 ± 0.12 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No