Information card for entry 4320738

Structure parameters

• Formula: C49 H78 Al N3 O2 Si2
• Calculated formula: C49 H76 Al N3 O2 Si2
• SMILES: [Al]123(Oc4c(C=[N]2[C@H]2[C@H]([N]3=Cc3c(O1)c(cc(c3)C(C)(C)C)C(C)(C)C)CCCC2)cc(cc4C(C)(C)C)C(C)(C)C)N([Si](C)(C)C)[Si](C)(C)C.Cc1[c]ccc[c]1
• 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: 10.9002 ± 0.0005 Å
• b: 15.1173 ± 0.0008 Å
• c: 31.5919 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5205.8 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1295
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections: 0.1807
• Weighted residual factors for significantly intense reflections: 0.136
• Goodness-of-fit parameter for all reflections: 1.071
• Goodness-of-fit parameter for significantly intense reflections: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No