Information card for entry 7043973

Structure parameters

• Formula: C40 H52 F13 N5 O3
• Calculated formula: C40 H52 F13 N5 O3
• 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: 14.9024 ± 0.001 Å
• b: 18.28 ± 0.002 Å
• c: 16.8119 ± 0.0011 Å
• α: 90°
• β: 91.476 ± 0.006°
• γ: 90°
• Cell volume: 4578.3 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.2164
• Residual factor for significantly intense reflections: 0.0976
• Weighted residual factors for significantly intense reflections: 0.1897
• Weighted residual factors for all reflections included in the refinement: 0.2454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No