Information card for entry 4327518

Structure parameters

• Formula: C42 H56 Al2 N2 O2
• Calculated formula: C42 H56 Al2 N2 O2
• SMILES: O1[Al](C)([N](=C(O[Al]([N](=C1c1ccccc1)c1c(cccc1C(C)C)C(C)C)(C)C)c1ccccc1)c1c(cccc1C(C)C)C(C)C)C
• Title of publication: Reactions of Amides with Organoaluminum Compounds: Factors Affecting the Coordination Mode of Aluminum Amidates
• Authors of publication: Bor-Hunn Huang; Te-Liang Yu; Yi-Lun Huang; Bao-Tsan Ko; Chu-Chieh Lin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 2987 - 2994
• a: 9.0983 ± 0.0008 Å
• b: 14.851 ± 0.0013 Å
• c: 14.8892 ± 0.0013 Å
• α: 90°
• β: 96.071 ± 0.002°
• γ: 90°
• Cell volume: 2000.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0547
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1429
• Weighted residual factors for all reflections included in the refinement: 0.1566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No