Information card for entry 4074516

Structure parameters

• Formula: C37 H62 Al N2 O Si2
• Calculated formula: C37 H62 Al N2 O Si2
• SMILES: [Al]1([OH2])(N(c2c(C(C)C)cccc2C(C)C)C(=CC(=[N]1c1c(C(C)C)cccc1C(C)C)C)C)C(=C\[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: 11.326 ± 0.004 Å
• b: 19.69 ± 0.007 Å
• c: 18.246 ± 0.006 Å
• α: 90°
• β: 102.217 ± 0.004°
• γ: 90°
• Cell volume: 3977 ± 2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No