Information card for entry 4127760

Structure parameters

• Common name: TS460 TT MAPB
• Formula: C64 H54 N2 O4 S2
• Calculated formula: C64 H54 N2 O4 S2
• 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: 11.18 ± 0.02 Å
• b: 13.88 ± 0.02 Å
• c: 16.93 ± 0.03 Å
• α: 74.23 ± 0.04°
• β: 85.68 ± 0.03°
• γ: 87.32 ± 0.04°
• Cell volume: 2520 ± 7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1018
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.1586
• Weighted residual factors for all reflections included in the refinement: 0.1678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No