Information card for entry 1560985

Structure parameters

• Formula: C115.5 H108.1 N17 O23.2
• Calculated formula: C115.5 H108.1 N17 O23.2
• Title of publication: Porous shape-persistent rylene imine cages with tunable optoelectronic properties and delayed fluorescence
• Authors of publication: Huang, Hsin-Hua; Song, Kyung Seob; Prescimone, Alessandro; Aster, Alexander; Cohen, Gabriel; Mannancherry, Rajesh; Vauthey, Eric; Coskun, Ali; Šolomek, Tomáš
• Journal of publication: Chemical Science
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 14
• Pages of publication: 5275 - 5285
• a: 31.8864 ± 0.0019 Å
• b: 17.2148 ± 0.001 Å
• c: 20.9689 ± 0.0012 Å
• α: 90°
• β: 102.403 ± 0.003°
• γ: 90°
• Cell volume: 11241.6 ± 1.1 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.2088
• Weighted residual factors for all reflections included in the refinement: 0.2145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No