Information card for entry 4074515

Structure parameters

• Formula: C42 H64 Al N3 Si2
• Calculated formula: C42 H64 Al N3 Si2
• SMILES: [Al]12(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)N1C=CC=CC1C(=C2[Si](C)(C)C)[Si](C)(C)C
• Title of publication: Facile Generation of Aluminum 1,2-Dihydropyridyl and Hydroxyl Derivatives from an Aluminum Cyclopropene Analogue
• Authors of publication: Li, Xiaofei; Duan, Lili; Song, Haibin; Ni, Chengbao; Cui, Chunming
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 23
• Pages of publication: 5665
• a: 12.6554 ± 0.0017 Å
• b: 21.369 ± 0.003 Å
• c: 16.374 ± 0.002 Å
• α: 90°
• β: 99.367 ± 0.002°
• γ: 90°
• Cell volume: 4369 ± 1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.1182
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1571
• Weighted residual factors for all reflections included in the refinement: 0.1929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No