Information card for entry 4067880

Structure parameters

• Formula: C20 H32 Al N3
• Calculated formula: C20 H32 Al N3
• SMILES: [Al]1(=C2N(CCN1C(C)(C)C)C=CN2c1c(cc(cc1C)C)C)(C)C
• Title of publication: Subtle Reactivities of Boron and Aluminum Complexes with Amino-Linked N-Heterocyclic Carbene Ligation
• Authors of publication: Tai, Chia-Cheng; Chang, Ya-Ting; Tsai, Jie-Hong; Jurca, Titel; Yap, Glenn P. A.; Ong, Tiow-Gan
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 2
• Pages of publication: 637
• a: 10.3588 ± 0.0003 Å
• b: 14.6446 ± 0.0004 Å
• c: 13.8385 ± 0.0004 Å
• α: 90°
• β: 100.118 ± 0.001°
• γ: 90°
• Cell volume: 2066.66 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0608
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No