Information card for entry 4127442

Structure parameters

• Formula: C47 H65 N3 O
• Calculated formula: C47 H65 N3 O
• Title of publication: Organic Redox Systems Based on Pyridinium-Carbene Hybrids.
• Authors of publication: Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 24
• Pages of publication: 9701 - 9711
• a: 27.636 ± 0.008 Å
• b: 9.669 ± 0.003 Å
• c: 15.648 ± 0.006 Å
• α: 90°
• β: 91.294 ± 0.013°
• γ: 90°
• Cell volume: 4180 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1856
• Weighted residual factors for all reflections included in the refinement: 0.1886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No