Information card for entry 7207507

Structure parameters

• Common name: N,N',N''-tris(3-methylpentyl)triazatriangulenium tetrafluoroborate
• Formula: C37 H48 B F4 N3
• Calculated formula: C37 H48 B F3.99 N3
• Title of publication: Large area, soft crystalline thin films of N,N′,N′′-trialkyltriazatriangulenium salts with homeotropic alignment of the discotic cores in a lamellar lattice
• Authors of publication: Sørensen, Thomas Just; Hildebrandt, Christoffer B.; Elm, Jonas; Andreasen, Jens W.; Madsen, Anders Ø.; Westerlund, Fredrik; Laursen, Bo W.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 11
• Pages of publication: 4797
• a: 12.57 ± 0.001 Å
• b: 12.57 ± 0.001 Å
• c: 35.496 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4857.1 ± 0.6 ų
• Cell temperature: 122.4 ± 0.5 K
• Ambient diffraction temperature: 122.4 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.125
• Residual factor for significantly intense reflections: 0.1003
• Weighted residual factors for significantly intense reflections: 0.3425
• Weighted residual factors for all reflections included in the refinement: 0.3734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.563
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No