Information card for entry 7052314

Structure parameters

• Common name: 1alpha,2alpha,3beta,4beta-1,3-bis(2,3,5,6-tetrafluoro-4-iodo- phenyl)-2,4-bis(4-phenyl-dimethylamine)cyclobutane
• Formula: C34 H26 Cl6 F8 I2 N2
• Calculated formula: C34 H26 Cl6 F8 I2 N2
• Title of publication: Solid state synthesis under supramolecular control of a 2D heterotetratopic self-complementary tecton tailored to halogen bonding
• Authors of publication: Marras, Giovanni; Metrangolo, Pierangelo; Meyer, Franck; Pilati, Tullio; Resnati, Giuseppe; Vij, Ashwani
• Journal of publication: New Journal of Chemistry
• Year of publication: 2006
• Journal volume: 30
• Journal issue: 10
• Pages of publication: 1397
• a: 6.1825 ± 0.0008 Å
• b: 18.9953 ± 0.0015 Å
• c: 16.605 ± 0.002 Å
• α: 90°
• β: 90.93 ± 0.004°
• γ: 90°
• Cell volume: 1949.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0327
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No