Information card for entry 7043975

Structure parameters

• Formula: C40 H50 F12 I N5 O2
• Calculated formula: C40 H50 F12 I 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: 17.644 ± 0.0006 Å
• b: 14.9266 ± 0.0006 Å
• c: 18.2352 ± 0.0005 Å
• α: 90°
• β: 100.787 ± 0.003°
• γ: 90°
• Cell volume: 4717.7 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No