Information card for entry 4106218

Structure parameters

• Formula: C47.4 H45.58 N2 O13.4
• Calculated formula: C47.396 H40 N2 O13.396
• 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: 36.557 ± 0.004 Å
• b: 12.51 ± 0.0014 Å
• c: 9.2151 ± 0.001 Å
• α: 90°
• β: 96.781 ± 0.005°
• γ: 90°
• Cell volume: 4184.8 ± 0.8 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1284
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No