Information card for entry 4127451

Structure parameters

• Formula: C49 H60 N2
• Calculated formula: C49 H60 N2
• SMILES: N1(C(=CC(C=C1c1ccccc1)=C1N(C(CC1(CC)CC)(C)C)c1c(cccc1C(C)C)C(C)C)c1ccccc1)c1ccc(cc1)C(C)(C)C
• 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: 12.2157 ± 0.0013 Å
• b: 23.396 ± 0.003 Å
• c: 28.355 ± 0.003 Å
• α: 90°
• β: 90.759 ± 0.004°
• γ: 90°
• Cell volume: 8103.1 ± 1.6 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 3
• 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: 0.0665
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1335
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No