Information card for entry 4324540

Structure parameters

• Formula: C43 H51 Al B2 N2 O4
• Calculated formula: C43 H51 Al B2 N2 O4
• SMILES: [Al]1(N(c2c(cccc2C(C)C)C(C)C)C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)(OB1c2ccccc2CO1)OB1c2ccccc2CO1
• Title of publication: Synthesis of Boroxine-Linked Aluminum Complexes
• Authors of publication: Xiaoli Ma; Zhi Yang; Xiujuan Wang; Herbert W. Roesky; Feng Wu; Hongping Zhu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 2010 - 2014
• a: 12.749 ± 0.004 Å
• b: 15.966 ± 0.004 Å
• c: 20.125 ± 0.006 Å
• α: 90°
• β: 94.251 ± 0.005°
• γ: 90°
• Cell volume: 4085 ± 2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.1446
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.1655
• Weighted residual factors for all reflections included in the refinement: 0.1961
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No