Information card for entry 4320737

Structure parameters

• Formula: C56 H65 Al N2 O3 Si
• Calculated formula: C56 H65 Al N2 O3 Si
• SMILES: [Si](O[Al]123[N](c4c([N]1=Cc1c(O3)c(cc(c1)C(C)(C)C)C(C)(C)C)cc(c(c4)C)C)=Cc1cc(cc(c1O2)C(C)(C)C)C(C)(C)C)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Reactivity and Derivatization of Five-Coordinate, Chelated Aluminum
• Authors of publication: Miguel-Angel Munoz-Hernandez; Timothy S. Keizer; Pingrong Wei; Sean Parkin; David A. Atwood
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 6782 - 6787
• a: 19.2325 ± 0.0011 Å
• b: 14.2271 ± 0.0008 Å
• c: 19.3777 ± 0.0011 Å
• α: 90°
• β: 109.529 ± 0.001°
• γ: 90°
• Cell volume: 4997.2 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for all reflections: 0.1472
• Weighted residual factors for significantly intense reflections: 0.141
• Goodness-of-fit parameter for all reflections: 1.283
• Goodness-of-fit parameter for significantly intense reflections: 1.305
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No