Information card for entry 7229332

Structure parameters

• Formula: C34 H56 Al2 N2 O6
• Calculated formula: C34 H56 Al2 N2 O6
• SMILES: [Al]1234OCC[N]1(CC(C)(C)[O]4[Al]145[N](CC(C)(C)[O]31)(CCO4)CC(O5)(C)C)CC(O2)(C)C.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: Dimeric alumatranes as catalysts for trimethylsilylcyanation reaction
• Authors of publication: Kim, Yoseph; Lee, Kang Mun; Kim, So Han; Moon, Jung Hee; Kim, Youngjo
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 76
• Pages of publication: 48151
• a: 13.6533 ± 0.0006 Å
• b: 14.1939 ± 0.0006 Å
• c: 18.853 ± 0.0008 Å
• α: 90°
• β: 98.997 ± 0.002°
• γ: 90°
• Cell volume: 3608.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1053
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1526
• Weighted residual factors for all reflections included in the refinement: 0.1868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No