Information card for entry 4068530

Structure parameters

• Formula: C28 H42 Al N3 O
• Calculated formula: C28 H42 Al N3 O
• SMILES: [Al](OC(c1ccccc1)c1n(cc[n+]1CCNC(C)(C)C)c1c(cc(cc1C)C)C)(C)(C)C
• Title of publication: Synthesis and Structure of an Amino-Linked N-Heterocyclic Carbene and the Reactivity of its Aluminum Adduct
• Authors of publication: Shih, Wei-Chih; Wang, Chun-Han; Chang, Yang-Ting; Yap, Glenn P. A.; Ong, Tiow-Gan
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 4
• Pages of publication: 1060
• a: 9.6323 ± 0.0003 Å
• b: 12.535 ± 0.0004 Å
• c: 13.8141 ± 0.0007 Å
• α: 108.364 ± 0.002°
• β: 108.548 ± 0.002°
• γ: 103.388 ± 0.001°
• Cell volume: 1395.02 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0624
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No