Information card for entry 4127904

Structure parameters

• Formula: C27 H25 N O4 S
• Calculated formula: C27 H25 N O4 S
• SMILES: S(=O)(=O)(n1c2c(c3c1cccc3)c1ccccc1OC(=O)[C@H](C2)CCC)c1ccc(cc1)C
• Title of publication: Diastereo- and Atroposelective Synthesis of Bridged Biaryls Bearing an Eight-Membered Lactone through an Organocatalytic Cascade.
• Authors of publication: Lu, Shenci; Ong, Jun-Yang; Yang, Hui; Poh, Si Bei; Liew, Xi; Seow, Chwee San Deborah; Wong, Ming Wah; Zhao, Yu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 43
• Pages of publication: 17062 - 17067
• a: 8.1622 ± 0.0004 Å
• b: 7.4452 ± 0.0003 Å
• c: 18.6526 ± 0.0008 Å
• α: 90°
• β: 93.348 ± 0.001°
• γ: 90°
• Cell volume: 1131.57 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0259
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No