Information card for entry 7105758

Structure parameters

• Formula: C20 H24 F6 N6 O4
• Calculated formula: C20 H24 F6 N6 O4
• Title of publication: Guest induced transformations of assembled pyridyl bis-urea macrocycles
• Authors of publication: Kinkini Roy; Chun Wang; Mark Smith; Mahender Dewal; Arief Wibowo; Julius Brown; Shuguo Ma; Linda Shimizu
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 277
• a: 4.6955 ± 0.0012 Å
• b: 9.632 ± 0.003 Å
• c: 12.775 ± 0.003 Å
• α: 93.97 ± 0.005°
• β: 100.219 ± 0.005°
• γ: 95.594 ± 0.005°
• Cell volume: 563.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1004
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1698
• Weighted residual factors for all reflections included in the refinement: 0.1908
• 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