Information card for entry 4126090

Structure parameters

• Formula: C22 H35 N Se
• Calculated formula: C22 H35 N Se
• SMILES: [Se]=C1N(C(C)(C)CC1(CC)CC)c1c(C(C)C)cccc1C(C)C
• Title of publication: Bicyclic (Alkyl)(amino)carbenes (BICAACs): Stable Carbenes more Ambiphilic than CAACs.
• Authors of publication: Tomás-Mendivil, Eder; Hansmann, Max M.; Weinstein, Cory M.; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 17.6222 ± 0.0007 Å
• b: 7.8352 ± 0.0003 Å
• c: 15.0574 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2079.03 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0564
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No