Information card for entry 4127765

Structure parameters

• Common name: TS-linPY-MAPB
• Formula: C66 H44 N2
• Calculated formula: C66 H44 N2
• Title of publication: Switching on and off Interlayer Correlations and Porosity in 2D Covalent Organic Frameworks.
• Authors of publication: Sick, Torben; Rotter, Julian M.; Reuter, Stephan; Kandambeth, Sharath; Bach, Nicolai N.; Döblinger, Markus; Merz, Julia; Clark, Timothy; Marder, Todd B.; Bein, Thomas; Medina, Dana D.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 32
• Pages of publication: 12570 - 12581
• a: 9.2615 ± 0.0009 Å
• b: 55.194 ± 0.006 Å
• c: 9.7156 ± 0.001 Å
• α: 90°
• β: 115.71 ± 0.003°
• γ: 90°
• Cell volume: 4474.7 ± 0.8 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 3
• 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: 0.2071
• Residual factor for significantly intense reflections: 0.1074
• Weighted residual factors for significantly intense reflections: 0.184
• Weighted residual factors for all reflections included in the refinement: 0.2181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No