Information card for entry 1568901

Structure parameters

• Formula: C19 H36 N2 Se
• Calculated formula: C19 H36 N2 Se
• Title of publication: I<i>t</i>Oct (I<i>t</i>Octyl) - pushing the limits of I<i>t</i>Bu: highly hindered electron-rich N-aliphatic N-heterocyclic carbenes.
• Authors of publication: Rahman, Md Mahbubur; Meng, Guangrong; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 19
• Pages of publication: 5141 - 5147
• a: 32.8739 ± 0.001 Å
• b: 10.3807 ± 0.0003 Å
• c: 12.109 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4132.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 0.839
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No