Information card for entry 4082615

Structure parameters

• Formula: C48 H60 K N3 Si
• Calculated formula: C48 H60 K N3 Si
• SMILES: [K+].c1(c(C(C)C)cccc1C(C)C)N=C1c2cccc3[C@@H](C=C[C-](C1=Nc1c(C(C)C)cccc1C(C)C)c23)[C@H]([Si](C)(C)C)c1c(N(C)C)cccc1.[K+].c1(c(C(C)C)cccc1C(C)C)N=C1c2cccc3[C@H](C=C[C-](C1=Nc1c(C(C)C)cccc1C(C)C)c23)[C@@H]([Si](C)(C)C)c1c(N(C)C)cccc1
• Title of publication: Dearomatized BIAN Alkaline-Earth Alkyl Catalysts for the Intramolecular Hydroamination of Hindered Aminoalkenes
• Authors of publication: Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 1
• Pages of publication: 206
• a: 39.675 ± 0.0007 Å
• b: 39.675 ± 0.0007 Å
• c: 39.675 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 62452.6 ± 1.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 206
• Hermann-Mauguin space group symbol: I a -3
• Hall space group symbol: -I 2b 2c 3
• Residual factor for all reflections: 0.1786
• Residual factor for significantly intense reflections: 0.1001
• Weighted residual factors for significantly intense reflections: 0.2422
• Weighted residual factors for all reflections included in the refinement: 0.2848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No