Information card for entry 7127292

Structure parameters

• Formula: C20 H21 N O2 S
• Calculated formula: C20 H21 N O2 S
• Title of publication: Pd/Xiang-Phos-catalyzed enantioselective intermolecular carboheterofunctionalization of norbornene and norbornadiene.
• Authors of publication: Tao, Mengna; Li, Wenbo; Zhang, Junliang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 86
• Pages of publication: 13125 - 13128
• a: 6.0451 ± 0.0005 Å
• b: 8.3029 ± 0.0004 Å
• c: 9.2867 ± 0.0005 Å
• α: 107.436 ± 0.005°
• β: 107.421 ± 0.007°
• γ: 90.517 ± 0.006°
• Cell volume: 421.8 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1717
• Weighted residual factors for all reflections included in the refinement: 0.1754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No