Information card for entry 1545235

Structure parameters

• Formula: C21 H29 N O4
• Calculated formula: C21 H29 N O4
• SMILES: O([C@@H](c1ccccc1)[C@H](/C=C/C(=O)N1C(=O)OC([C@@H]1C(C)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: 11.8946 ± 0.0009 Å
• b: 7.631 ± 0.0006 Å
• c: 12.2455 ± 0.001 Å
• α: 90°
• β: 112.27 ± 0.004°
• γ: 90°
• Cell volume: 1028.59 ± 0.14 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: 0.1918
• Residual factor for significantly intense reflections: 0.0901
• Weighted residual factors for significantly intense reflections: 0.1846
• Weighted residual factors for all reflections included in the refinement: 0.2607
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No