Information card for entry 4132679

Structure parameters

• Formula: C28 H41 N
• Calculated formula: C28 H41 N
• SMILES: N1(c2c(cccc2C(C)C)C(C)C)[C]C2(C3CC4CC2CC(C4)C3)CCC1(C)C
• Title of publication: Highly Ambiphilic Room Temperature Stable Six-Membered Cyclic (Alkyl)(amino)carbenes.
• Authors of publication: Weinstein, Cory M.; Junor, Glen P.; Tolentino, Daniel R.; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 29
• Pages of publication: 9255 - 9260
• a: 7.4475 ± 0.001 Å
• b: 11.6494 ± 0.0015 Å
• c: 26.153 ± 0.003 Å
• α: 90°
• β: 90.314 ± 0.007°
• γ: 90°
• Cell volume: 2269 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• 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: 0.0462
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No