Information card for entry 4027264

Structure parameters

• Formula: C40 H38 N6 O2
• Calculated formula: C40 H38 N6 O2
• Title of publication: 2,6-Diacylnaphthalene-1,8:4,5-Bis(dicarboximides): Synthesis, Reduction Potentials, and Core Extension
• Authors of publication: Lauren E. Polander; Laxman Pandey; Alexander Romanov; Alexandr Fonari; Stephen Barlow; Brian M. Seifried; Tatiana V. Timofeeva; Jean-Luc Brédas; Seth R. Marder
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 5544 - 5551
• a: 4.806 ± 0.006 Å
• b: 14.85 ± 0.02 Å
• c: 14.93 ± 0.02 Å
• α: 60.43 ± 0.02°
• β: 85.26 ± 0.02°
• γ: 89.2 ± 0.02°
• Cell volume: 923 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2011
• Residual factor for significantly intense reflections: 0.1
• Weighted residual factors for significantly intense reflections: 0.1992
• Weighted residual factors for all reflections included in the refinement: 0.2218
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No