Information card for entry 4503245

Structure parameters

• Formula: C40 H36 F16 I4 N6
• Calculated formula: C40 H36 F16 I4 N6
• SMILES: Fc1c(I)c(c(c(NCCCN(CCCCN(CCCNc2c(F)c(F)c(I)c(F)c2F)CCCNc2c(F)c(F)c(I)c(F)c2F)CCCNc2c(F)c(F)c(I)c(F)c2F)c1F)F)F
• Title of publication: Dendrimeric Tectons in Halogen Bonding-Based Crystal Engineering
• Authors of publication: Metrangolo, Pierangelo; Meyer, Franck; Pilati, Tullio; Proserpio, Davide M.; Resnati, Giuseppe
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 654
• a: 14.246 ± 0.002 Å
• b: 11.5917 ± 0.0017 Å
• c: 15.81 ± 0.002 Å
• α: 90°
• β: 111.28 ± 0.02°
• γ: 90°
• Cell volume: 2432.8 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No