Information card for entry 7157519

Structure parameters

• Formula: C32 H29 N O S
• Calculated formula: C32 H29 N O S
• Title of publication: Palladium catalyzed asymmetric allylic alkylation of isoquinolinedione derivatives in the preparation of quaternary carbon stereocenters.
• Authors of publication: Li, Ying-Xian; Cheng, Cheng; Tang, Lei; Yang, Yuan-Yong
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 24
• Pages of publication: 4551 - 4555
• a: 9.25182 ± 0.00019 Å
• b: 14.2225 ± 0.0003 Å
• c: 10.38203 ± 0.00019 Å
• α: 90°
• β: 106.464 ± 0.002°
• γ: 90°
• Cell volume: 1310.1 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0369
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No