Information card for entry 4127447

Structure parameters

• Formula: C52 H59 N3 O
• Calculated formula: C52 H59 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: 19.391 ± 0.01 Å
• b: 10.649 ± 0.004 Å
• c: 21.807 ± 0.008 Å
• α: 90°
• β: 107.848 ± 0.015°
• γ: 90°
• Cell volume: 4286 ± 3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0801
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1417
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No