Information card for entry 4106219

Structure parameters

• Formula: C47 H48 N2 O15
• Calculated formula: C47 H36 N2 O15
• Title of publication: Semiconducting Organic Assemblies Prepared from Tetraphenylethylene Tetracarboxylic Acid and Bis(pyridine)s via Charge-Assisted Hydrogen Bonding
• Authors of publication: Pradeep P. Kapadia; Lindsay R. Ditzler; Jonas Baltrusaitis; Dale C. Swenson; Alexei V. Tivanski; F. Christopher Pigge
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 8490 - 8493
• a: 9.4628 ± 0.001 Å
• b: 14.493 ± 0.0015 Å
• c: 16.21 ± 0.0017 Å
• α: 99.907 ± 0.005°
• β: 98.249 ± 0.005°
• γ: 90.148 ± 0.005°
• Cell volume: 2166.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1719
• Residual factor for significantly intense reflections: 0.1067
• Weighted residual factors for significantly intense reflections: 0.2815
• Weighted residual factors for all reflections included in the refinement: 0.3246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No