Information card for entry 4113119

Structure parameters

• Formula: C84 H96 B2 N4 O4
• Calculated formula: C84 H96 B2 N4 O4
• Title of publication: Light-Mediated C-C σ-Bond Driven Crystallization of a Phenalenyl Radical Dimer
• Authors of publication: Puhong Liao; Mikhail E. Itkis; Richard T. Oakley; Fook S. Tham; Robert C. Haddon
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 14297 - 14302
• a: 9.135 ± 0.0015 Å
• b: 12.826 ± 0.002 Å
• c: 15.925 ± 0.003 Å
• α: 103.674 ± 0.004°
• β: 98.411 ± 0.004°
• γ: 103.936 ± 0.004°
• Cell volume: 1718.3 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0821
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No