Information card for entry 4027044

Structure parameters

• Chemical name: (3,3,7,7-tetramethylhexahydro-1H-[1,4,2]oxazasilino [4,5-d][1,4,2]oxazasilin-9a-yl)methanol
• Formula: C10 H23 N O3 Si2
• Calculated formula: C10 H23 N O3 Si2
• SMILES: [Si]1(OCC2(N(C[Si](OC2)(C)C)C1)CO)(C)C
• Title of publication: Synthesis, Molecular Structure, Conformational Analysis, and Chemical Properties of Silicon-Containing Derivatives of Quinolizidine
• Authors of publication: Nataliya F. Lazareva; Bagrat A. Shainyan; Uwe Schilde; Nina N. Chipanina; Larisa P. Oznobikhina; Alexander I. Albanov; Erich Kleinpeter
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 2382 - 2388
• a: 6.0574 ± 0.0005 Å
• b: 11.2877 ± 0.0012 Å
• c: 21.5246 ± 0.0016 Å
• α: 90°
• β: 105.601 ± 0.006°
• γ: 90°
• Cell volume: 1417.5 ± 0.2 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 5
• 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: 0.0706
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No