Information card for entry 4309763

Structure parameters

• Formula: C10 H21 N O3 Si
• Calculated formula: C10 H21 N O3 Si
• SMILES: [Si]123(O[C@H](C[N]2(C[C@@H](O1)C)CCC3)C)OC
• Title of publication: NMR Investigation of the Interaction of Vanadate with Carbasilatranes in Aqueous Solutions
• Authors of publication: Evgenios M. Evgeniou; Spyros A. Pergantis; Epameinondas Leontidis; Anastasios D. Keramidas
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 7511 - 7522
• a: 8.8751 ± 0.0006 Å
• b: 9.7031 ± 0.0007 Å
• c: 14.2263 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1225.11 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0297
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No