Information card for entry 2019967

Structure parameters

• Common name: (3S)-5,7,9,9-tetramethyl-3-(propan-2-yl)-2H,3H,9H-1,8,4λ^4^,\ λ^5^-[1,3λ^4^,2λ^5^]oxazasilolo[2,3-b][1,3λ^4^,2λ^5^]oxazasilin-2-one
• Chemical name: Dimethyl[<i>N</i>-(4-oxidopent-3-en-2-ylidene)valinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']silicon(II)
• Formula: C12 H21 N O3 Si
• Calculated formula: C12 H21 N O3 Si
• Title of publication: Two reversible enantiotropic phase transitions in a pentacoordinate silicon complex with an <i>O</i>,<i>N</i>,<i>O</i>'-tridentate valinate ligand
• Authors of publication: Schwarzer, Anke; Fels, Sabine; Böhme, Uwe
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• Pages of publication: 511 - 516
• a: 7.787 ± 0.0003 Å
• b: 8.1899 ± 0.0002 Å
• c: 22.0975 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1409.26 ± 0.07 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0527
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1163
• 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: Yes
• Has Fobs: Yes