Information card for entry 1503891

Structure parameters

• Formula: C40.25 H44 Cl6 O6 Sb
• Calculated formula: C40.25 H44 Cl6 O6 Sb
• Title of publication: X-ray structural characterization of charge delocalization onto the three equivalent benzenoid rings in hexamethoxytriptycene cation radical.
• Authors of publication: Chebny, Vincent J.; Navale, Tushar S.; Shukla, Ruchi; Lindeman, Sergey V.; Rathore, Rajendra
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 11
• Pages of publication: 2253 - 2256
• a: 12.5195 ± 0.0002 Å
• b: 12.9701 ± 0.0002 Å
• c: 26.6144 ± 0.0004 Å
• α: 103.874 ± 0.001°
• β: 93.92 ± 0.001°
• γ: 90.647 ± 0.001°
• Cell volume: 4184.02 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No