Information card for entry 4327473

Structure parameters

• Common name: N-Isopropanoldithiazinane
• Chemical name: O-Dimethylchloroaluminum-O-dimethylaluminum-1-methyl- -2-(1,3,5-dithiazinan-5-yl)-ethanolate
• Formula: C10 H24 Al2 Cl N O S2
• Calculated formula: C10 H24 Al2 Cl N O S2
• SMILES: Cl[Al]([O]1[Al]([N]2(CSCSC2)C[C@@H]1C)(C)C)(C)C
• 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: 10.727 ± 0.002 Å
• b: 11.636 ± 0.002 Å
• c: 14.411 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1798.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.062
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No