Information card for entry 1554185

Structure parameters

• Formula: C34 H40 N2 O7 S
• Calculated formula: C34 H40 N2 O7 S
• Title of publication: Enantioselective Synthesis of α-Substituted Serine Derivatives via Cu-Catalyzed Oxidative Desymmetrization of 2-Amino-1,3-diols
• Authors of publication: Yamamoto, Kosuke; Ishimaru, Shota; Oyama, Tatsuya; Tanigawa, Satoko; Kuriyama, Masami; Onomura, Osamu
• Journal of publication: Organic Process Research & Development
• Year of publication: 2019
• Journal volume: 23
• Journal issue: 4
• Pages of publication: 660
• a: 14.24 ± 0.005 Å
• b: 14.762 ± 0.004 Å
• c: 16.651 ± 0.005 Å
• α: 90°
• β: 107.263 ± 0.004°
• γ: 90°
• Cell volume: 3342.5 ± 1.8 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.0785
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No