Information card for entry 7043974

Structure parameters

• Formula: C32 H34 Cl F12 N5 O2
• Calculated formula: C32 H34 Cl F12 N5 O2
• Title of publication: Systematic Size Mediated Trapping of Anions of Varied Dimensionality within Dimeric Capsular Assembly of a Flexible Neutral Bis-Urea Platform
• Authors of publication: Manna, Utsab; Kayal, Santanu; Nayak, Biswajit; Das, Gopal
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 10.0555 ± 0.0009 Å
• b: 13.4392 ± 0.0013 Å
• c: 14.8575 ± 0.0013 Å
• α: 77.996 ± 0.008°
• β: 87.728 ± 0.007°
• γ: 70.382 ± 0.008°
• Cell volume: 1848.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.132
• Residual factor for significantly intense reflections: 0.0871
• Weighted residual factors for significantly intense reflections: 0.2054
• Weighted residual factors for all reflections included in the refinement: 0.2353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No