Information card for entry 4509367

Structure parameters

• Formula: C48 H60 Li2 N20 O12 Se
• Calculated formula: C48 H60 Li2 N20 O12 Se
• Title of publication: Selective Crystallization of Urea-Functionalized Capsules with Tunable Anion-Binding Cavities
• Authors of publication: Custelcean, Radu; Remy, Priscilla
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 4
• Pages of publication: 1985
• a: 17.9112 ± 0.0005 Å
• b: 17.9112 ± 0.0005 Å
• c: 17.9112 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5746.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0975
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.2216
• Weighted residual factors for all reflections included in the refinement: 0.2419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No