Information card for entry 1547369

Structure parameters

• Formula: C170 H155.5 N18 O3
• Calculated formula: C170 H155.5 N18 O3
• Title of publication: Template-directed self-assembly of dynamic covalent capsules with polar interiors
• Authors of publication: Galan, Albano; Escudero, Eduardo Carmelo; Ballester, Pablo
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 13.6872 ± 0.0016 Å
• b: 22.135 ± 0.003 Å
• c: 24.856 ± 0.003 Å
• α: 90°
• β: 94.046 ± 0.004°
• γ: 90°
• Cell volume: 7511.8 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.2986
• Residual factor for significantly intense reflections: 0.1397
• Weighted residual factors for significantly intense reflections: 0.2872
• Weighted residual factors for all reflections included in the refinement: 0.3541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.328
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No