Information card for entry 4319310

Structure parameters

• Formula: C58 H72 Al B3 N2 O3
• Calculated formula: C58 H72 Al B3 N2 O3
• SMILES: [Al](OB(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(OB(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(OB(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[N]#CC.N#CC
• Title of publication: Formation and Unexpected Catalytic Reactivity of Organoaluminum Boryloxides
• Authors of publication: Vernon C. Gibson; Sergio Mastroianni; Andrew J. P. White; David J. Williams
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 826 - 827
• a: 11.981 ± 0.0008 Å
• b: 12.2478 ± 0.0007 Å
• c: 21.5158 ± 0.0008 Å
• α: 78.678 ± 0.004°
• β: 81.984 ± 0.005°
• γ: 61.193 ± 0.004°
• Cell volume: 2709 ± 0.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections: 0.1849
• Weighted residual factors for significantly intense reflections: 0.1657
• Goodness-of-fit parameter for all reflections: 1.027
• Goodness-of-fit parameter for significantly intense reflections: 1.067
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No