Information card for entry 1570846

Structure parameters

• Formula: C29 H45 N3
• Calculated formula: C29 H45 N3
• Title of publication: Ambiphilicity of ring-expanded N-heterocyclic carbenes.
• Authors of publication: Vermersch, François; Wang, Victor T.; Abdellaoui, Mehdi; Jazzar, Rodolphe; Bertrand, Guy
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 10
• Pages of publication: 3707 - 3710
• a: 10.4427 ± 0.0009 Å
• b: 24.913 ± 0.002 Å
• c: 11.5295 ± 0.0009 Å
• α: 90°
• β: 116.382 ± 0.004°
• γ: 90°
• Cell volume: 2687.1 ± 0.4 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No