Information card for entry 1570845

Structure parameters

• Formula: C38 H50 N2
• Calculated formula: C38 H50 N2
• 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: 9.9626 ± 0.0002 Å
• b: 12.7843 ± 0.0002 Å
• c: 13.6552 ± 0.0002 Å
• α: 69.243 ± 0.001°
• β: 75.674 ± 0.001°
• γ: 87.52 ± 0.001°
• Cell volume: 1573.84 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• 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