Information card for entry 7157839

Structure parameters

• Formula: C24 H20 N2 O2 S
• Calculated formula: C24 H20 N2 O2 S
• Title of publication: Asymmetric β,γ'-regioselective [4 + 3] and [4 + 2] annulations of α-vinylenals <i>via</i> cascade iminium ion-dienamine catalysis.
• Authors of publication: Gao, Yang; Song, Xue; Yan, Ru-Jie; Du, Wei; Chen, Ying-Chun
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 1
• Pages of publication: 151 - 155
• a: 8.1897 ± 0.0003 Å
• b: 12.2546 ± 0.0005 Å
• c: 10.5538 ± 0.0004 Å
• α: 90°
• β: 90.193 ± 0.003°
• γ: 90°
• Cell volume: 1059.19 ± 0.07 ų
• Cell temperature: 295.1 ± 0.4 K
• Ambient diffraction temperature: 295.1 ± 0.4 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: 0.0531
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No