Information card for entry 4110833

Structure parameters

• Formula: C53.3 H67.2 B3 F6 N3 O3
• Calculated formula: C53.296 H67.215 B3 F6 N3 O3
• Title of publication: Schiff Base Route to Stackable Pseudo-Triphenylenes: Stereoelectronic Control of Assembly and Luminescence
• Authors of publication: Justin A. Riddle; Stephen P. Lathrop; John C. Bollinger; Dongwhan Lee
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 10986 - 10987
• a: 16.275 ± 0.003 Å
• b: 15.49 ± 0.003 Å
• c: 20.967 ± 0.005 Å
• α: 90°
• β: 98.223 ± 0.016°
• γ: 90°
• Cell volume: 5231.4 ± 1.9 ų
• Cell temperature: 122 ± 2 K
• Ambient diffraction temperature: 122 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1333
• Residual factor for significantly intense reflections: 0.1032
• Weighted residual factors for significantly intense reflections: 0.1684
• Weighted residual factors for all reflections included in the refinement: 0.1779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No