Information card for entry 4327474

Structure parameters

• Common name: N-(2-phenylethanoldithiazinane)
• Chemical name: O-Dimethylchloroaluminum-O-dimethylaluminum-1-phenyl- -2-(1,3,5-dithiazinan-5-yl)-ethanolate
• Formula: C15 H26 Al2 Cl N O S2
• Calculated formula: C15 H26 Al2 Cl N O S2
• SMILES: C1SC[N]2(CS1)CC(c1ccccc1)[O]([Al]2(C)C)[Al](C)(C)Cl
• Title of publication: Organometallic Aluminum Compounds Derived from 2-(1,3,5-Dithiazinan-5-yl)ethanol Ligands1
• Authors of publication: Juan Carlos Gálvez-Ruiz; Henrich Nöth; Angelina Flores-Parra
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 7569 - 7578
• a: 10.7851 ± 0.0003 Å
• b: 14.4757 ± 0.0004 Å
• c: 13.7653 ± 0.0003 Å
• α: 90°
• β: 103.001 ± 0.001°
• γ: 90°
• Cell volume: 2093.98 ± 0.09 ų
• Cell temperature: 233 K
• Ambient diffraction temperature: 233 K
• Number of distinct elements: 7
• 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: 0.0715
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No