Information card for entry 7152716

Structure parameters

• Formula: C67 H68 N2
• Calculated formula: C67 H68 N2
• Title of publication: An efficient synthesis of heptaaryldipyrromethenes from tetraarylcyclopentadienones and ammonium acetate and their extension to the corresponding BODIPYs.
• Authors of publication: Li, Jichao; Hu, Binbin; Hu, Gongfang; Li, Xihui; Lu, Ping; Wang, Yanguang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 44
• Pages of publication: 8848 - 8859
• a: 13.4626 ± 0.0007 Å
• b: 14.6803 ± 0.0008 Å
• c: 15.9634 ± 0.0007 Å
• α: 94.288 ± 0.004°
• β: 98.319 ± 0.004°
• γ: 115.215 ± 0.005°
• Cell volume: 2791.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1353
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1629
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No