Information card for entry 1558063

Structure parameters

• Chemical name: Terhphenylazid
• Formula: C47 H62 Al N3
• Calculated formula: C47 H62 Al N3
• 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: 19.5714 ± 0.0005 Å
• b: 14.2192 ± 0.0003 Å
• c: 14.836 ± 0.0004 Å
• α: 90°
• β: 96.397 ± 0.001°
• γ: 90°
• Cell volume: 4103 ± 0.18 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 4
• 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: 0.1059
• Residual factor for significantly intense reflections: 0.1029
• Weighted residual factors for significantly intense reflections: 0.2254
• Weighted residual factors for all reflections included in the refinement: 0.2266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.281
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No