Information card for entry 7151309

Structure parameters

• Formula: C49 H45 Cl3 N4 O2
• Calculated formula: C49 H45 Cl3 N4 O2
• Title of publication: Oxidative reactions of 6-pentyl indolo[3,2-b]carbazole: formation of novel C-C and C-N coupled dimers.
• Authors of publication: Gu, Rong; Van Hecke, Kristof; Van Meervelt, Luc; Toppet, Suzanne; Dehaen, Wim
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2006
• Journal volume: 4
• Journal issue: 20
• Pages of publication: 3785 - 3789
• a: 24.3549 ± 0.0008 Å
• b: 13.9993 ± 0.0004 Å
• c: 26.1244 ± 0.0007 Å
• α: 90°
• β: 94.689 ± 0.002°
• γ: 90°
• Cell volume: 8877.3 ± 0.5 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: 0.1108
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.1669
• Weighted residual factors for all reflections included in the refinement: 0.1793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No