Information card for entry 4072902

Structure parameters

• Formula: C40 H53 Al N2 O4 S2
• Calculated formula: C40 H53 Al N2 O4 S2
• SMILES: [Al]12(N(S(=[O]1)(=O)c1ccc(cc1)C)c1c(cccc1C(C)C)C(C)C)(N(S(=[O]2)(=O)c1ccc(cc1)C)c1c(cccc1C(C)C)C(C)C)CC
• Title of publication: Synthesis and Reactions of Aluminum Sulfonamide Alkyls and Hydride
• Authors of publication: Zhao, Jian; Song, Haibin; Cui, Chunming
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 8
• Pages of publication: 1947
• a: 11.1065 ± 0.0014 Å
• b: 16.532 ± 0.002 Å
• c: 22.444 ± 0.003 Å
• α: 89.462 ± 0.002°
• β: 78.601 ± 0.002°
• γ: 88.062 ± 0.002°
• Cell volume: 4037.4 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1499
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No