Information card for entry 1504283

Structure parameters

• Formula: C34 H34.36 Cl2.64 N3 O2
• Calculated formula: C34 H34.364 Cl2.636 N3 O2
• Title of publication: Synthesis of arylated perylene bisimides through C-H bond cleavage under ruthenium catalysis.
• Authors of publication: Nakazono, Satomi; Easwaramoorthi, Shanmugam; Kim, Dongho; Shinokubo, Hiroshi; Osuka, Atsuhiro
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 23
• Pages of publication: 5426 - 5429
• a: 9.294 ± 0.004 Å
• b: 10.196 ± 0.004 Å
• c: 18.474 ± 0.008 Å
• α: 85.694 ± 0.012°
• β: 83.861 ± 0.014°
• γ: 66.29 ± 0.013°
• Cell volume: 1592.7 ± 1.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1212
• Residual factor for significantly intense reflections: 0.088
• Weighted residual factors for significantly intense reflections: 0.2534
• Weighted residual factors for all reflections included in the refinement: 0.2814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No