Information card for entry 1570844

Structure parameters

• Formula: C25 H41 N2 O
• Calculated formula: C25 H41 N2 O
• 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: 9.3426 ± 0.0007 Å
• b: 13.6019 ± 0.0009 Å
• c: 19.5752 ± 0.0013 Å
• α: 75.524 ± 0.002°
• β: 76.84 ± 0.002°
• γ: 89.604 ± 0.002°
• Cell volume: 2342 ± 0.3 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1265
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1566
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No