Information card for entry 1544947

Structure parameters

• Formula: C20 H26 Br N O4
• Calculated formula: C20 H26 Br N O4
• SMILES: Brc1ccc([C@H](O)[C@@H](/C=C/C(=O)N2[C@H](C(OC2=O)(C)C)C(C)C)C)cc1
• Title of publication: Remote Asymmetric Induction Using Acetate-Type Vinylketene Silyl N,O-Acetals.
• Authors of publication: Sagawa, Naoya; Sato, Haruka; Hosokawa, Seijiro
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 1
• Pages of publication: 198 - 201
• a: 9.3929 ± 0.0012 Å
• b: 6.4813 ± 0.0007 Å
• c: 17.376 ± 0.002 Å
• α: 90°
• β: 101.247 ± 0.003°
• γ: 90°
• Cell volume: 1037.5 ± 0.2 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 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: 0.0883
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No