Information card for entry 4110711

Structure parameters

• Chemical name: Hexakis(4-methylethylamino-phenyl)benzene, dichloromethane solvate
• Formula: C62 H76 Cl4 N6
• Calculated formula: C62 H76 Cl4 N6
• Title of publication: Very Fast Electron Migrations within p-Doped Aromatic Cofacial Arrays Leading to Three-Dimensional (Toroidal) π-Delocalization
• Authors of publication: Sergiy V. Rosokha; Ivan S. Neretin; Duoli Sun; Jay K. Kochi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 9394 - 9407
• a: 9.75 ± 0.004 Å
• b: 15.374 ± 0.006 Å
• c: 19.369 ± 0.011 Å
• α: 96.84 ± 0.03°
• β: 95.38 ± 0.04°
• γ: 90.8 ± 0.03°
• Cell volume: 2869 ± 2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.1814
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.198
• Weighted residual factors for all reflections included in the refinement: 0.2304
• Goodness-of-fit parameter for all reflections included in the refinement: 0.873
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No