Information card for entry 1544963

Structure parameters

• Formula: C16 H27 N O4
• Calculated formula: C16 H27 N O4
• SMILES: O1C([C@@H](N(C(=O)/C=C/[C@@H]([C@@H](OC)C)C)C1=O)C(C)C)(C)C
• Title of publication: Syn Selective Vinylogous Mukaiyama Aldol Reaction Using Z,E-Vinylketene N,O-Acetal with Acetals.
• Authors of publication: Sagawa, Naoya; Moriya, Hiroki; Hosokawa, Seijiro
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 1
• Pages of publication: 250 - 253
• a: 7.8462 ± 0.0004 Å
• b: 11.066 ± 0.0005 Å
• c: 10.6654 ± 0.0006 Å
• α: 90°
• β: 112.684 ± 0.003°
• γ: 90°
• Cell volume: 854.4 ± 0.08 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1463
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.2071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No