Information card for entry 4110712

Structure parameters

• Chemical name: Hexakis(4-diethylamino-phenyl)benzene, dichloromethane solvate
• Formula: C66.08 H84.16 Cl0.16 N6
• Calculated formula: C66.082 H84.164 Cl0.164 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: 9.3616 ± 0.0006 Å
• b: 18.6148 ± 0.0011 Å
• c: 18.8933 ± 0.0011 Å
• α: 63.621 ± 0.001°
• β: 84.051 ± 0.001°
• γ: 78.052 ± 0.001°
• Cell volume: 2885.4 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1262
• Residual factor for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections: 0.2957
• Weighted residual factors for significantly intense reflections: 0.2573
• Goodness-of-fit parameter for all reflections: 1.018
• Goodness-of-fit parameter for significantly intense reflections: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No