Information card for entry 1558062

Structure parameters

• Chemical name: TMSN3
• Formula: C32 H58 Al N Si
• Calculated formula: C32 H58 Al N Si
• SMILES: [cH]12[c](c(cc1C(C)(C)C)C(C)(C)C)(C(C)(C)C)[Al]12C(=C(C(=C(N1[Si](C)(C)C)CC)CC)CC)CC
• Title of publication: Ring expansion of alumoles with organic azides: selective formation of six-membered aluminum-nitrogen heterocycles.
• Authors of publication: Drescher, Regina; Lin, Shujuan; Hofmann, Alexander; Lenczyk, Carsten; Kachel, Stephanie; Krummenacher, Ivo; Lin, Zhenyang; Braunschweig, Holger
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 21
• Pages of publication: 5559 - 5564
• a: 9.601 ± 0.002 Å
• b: 12.75 ± 0.003 Å
• c: 13.314 ± 0.002 Å
• α: 97.397 ± 0.006°
• β: 93.793 ± 0.015°
• γ: 94.404 ± 0.007°
• Cell volume: 1606.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No