Information card for entry 4327471

Structure parameters

• Common name: Ethanol dithiazinane
• Chemical name: O-Dimethylaluminum-O-trimehylaluminum-2-(1,3,5-dithiazinan-5-yl)ethanolate
• Formula: C17 H33 Al2 N O S2
• Calculated formula: C17 H33 Al2 N O S2
• SMILES: S1CSC[N]2([Al]([O]([Al](C)(C)C)CC2)(C)C)C1.c1(ccccc1)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: 7.0182 ± 0.0009 Å
• b: 13.8168 ± 0.0017 Å
• c: 11.9208 ± 0.0012 Å
• α: 90°
• β: 94.602 ± 0.002°
• γ: 90°
• Cell volume: 1152.2 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.133
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No