Information card for entry 7155449

Structure parameters

• Formula: C19 H27 N O6 Si
• Calculated formula: C19 H27 N O6 Si
• SMILES: C(C)(C)(C)[Si](C)(C)O[C@@H](C(=O)OC)[C@H](CO)N1C(=O)c2ccccc2C1=O
• Title of publication: Studies on cyclization reactions of 3-amino-2,4-dihydroxybutanoic acid derivatives.
• Authors of publication: Esgulian, Mathieu; Belot, Vincent; Guillot, Régis; Deloisy, Sandrine; Aitken, David J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 6
• Pages of publication: 1453 - 1462
• a: 8.1774 ± 0.0004 Å
• b: 8.2158 ± 0.0003 Å
• c: 15.0345 ± 0.0007 Å
• α: 90°
• β: 98.231 ± 0.002°
• γ: 90°
• Cell volume: 999.67 ± 0.08 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0288
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No