Information card for entry 8101883

Structure parameters

• Chemical name: 3S,4'S,6'S-2-benzyl-3-[(tert-butyldimethylsiloxy)-(2',2'-dimethyl-1,3-dioxolan- 4'-yl)-6'-methyl]-4-[2-(trimethylsilyl)ethoxy]-3.6-dihydro-2H-1,2-oxazine
• Formula: C28 H49 N O5 Si2
• Calculated formula: C28 H49 N O5 Si2
• SMILES: [Si](O[C@@H]([C@@H]1N(OCC=C1OCC[Si](C)(C)C)Cc1ccccc1)[C@H]1OC(OC1)(C)C)(C)(C)C(C)(C)C
• Title of publication: Crystal structure of 3S,4'S,6'S-2-benzyl-3-[(tert-butyl-dimethyl-siloxy)- (2',2'-dimethyl-1,3-dioxolan-4'-yl)-6'-methyl]-4-[2-(trimethylsilyl) ethoxy]-3.6-dihydro-2H-1,2-oxazine, C~28~H~49~NO~5~Si~2~
• Authors of publication: Al-Harrasi, A.; Brüdgam, I.; Hartl, H.; Reißig, H.-U.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 1
• Pages of publication: 12 - 14
• a: 14.325 ± 0.003 Å
• b: 11.85 ± 0.002 Å
• c: 19.459 ± 0.004 Å
• α: 90°
• β: 102.978 ± 0.005°
• γ: 90°
• Cell volume: 3218.8 ± 1.1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0946
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 0.884
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No