Information card for entry 1570849

Structure parameters

• Formula: C36 H50 N2 Se
• Calculated formula: C36 H50 N2 Se
• 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: 15.926 ± 0.0009 Å
• b: 15.8347 ± 0.0008 Å
• c: 14.355 ± 0.0008 Å
• α: 90°
• β: 116.049 ± 0.002°
• γ: 90°
• Cell volume: 3252.4 ± 0.3 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 4
• 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: 0.0425
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No