Information card for entry 1554187

Structure parameters

• Formula: C24 H35 B N2 O4 S
• Calculated formula: C24 H35 B N2 O4 S
• SMILES: [C@H](B1OC(C(O1)(C)C)(C)C)([C@@H](c1ccccc1)NS(=O)(=O)N(C)C)CCc1ccccc1
• Title of publication: Improved Synthesis of β-Aminoboronate Esters via Copper-Catalyzed Diastereo- and Enantioselective Addition of 1,1-Diborylalkanes to Acyclic Arylaldimines
• Authors of publication: Kim, Jeongho; Hwang, Chiwon; Kim, Youngmin; Cho, Seung Hwan
• Journal of publication: Organic Process Research & Development
• Year of publication: 2019
• Journal volume: 23
• Journal issue: 8
• Pages of publication: 1663
• a: 11.4365 ± 0.0008 Å
• b: 7.5623 ± 0.0005 Å
• c: 15.4088 ± 0.0011 Å
• α: 90°
• β: 110.202 ± 0.002°
• γ: 90°
• Cell volume: 1250.67 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No