Information card for entry 4127902

Structure parameters

• Formula: C28 H26 O3
• Calculated formula: C28 H26 O3
• SMILES: o1c2ccccc2c2c1C[C@H](CCCC)C(=O)Oc1c2c(cc(c1)C)c1ccccc1
• 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: 7.9247 ± 0.0004 Å
• b: 10.0883 ± 0.0005 Å
• c: 13.7799 ± 0.0007 Å
• α: 90°
• β: 99.202 ± 0.001°
• γ: 90°
• Cell volume: 1087.48 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0245
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No