Information card for entry 7104447

Structure parameters

• Formula: C43 H46 Cl2 N4 O8
• Calculated formula: C43 H44 Cl2 N4 O8
• Title of publication: Octamethoxydibenzochrysene: isolation and X-ray crystallographic characterization of a twisted polyaromatic cation radical.
• Authors of publication: Navale, Tushar S; Zhai, Linyi; Lindeman, Sergey V; Rathore, Rajendra
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 20
• Pages of publication: 2857 - 2859
• a: 31.675 ± 0.0008 Å
• b: 7.3983 ± 0.0002 Å
• c: 18.0078 ± 0.0004 Å
• α: 90°
• β: 106.718 ± 0.001°
• γ: 90°
• Cell volume: 4041.6 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0944
• Residual factor for significantly intense reflections: 0.0817
• Weighted residual factors for significantly intense reflections: 0.2344
• Weighted residual factors for all reflections included in the refinement: 0.2397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No