Information card for entry 7125267

Structure parameters

• Formula: C25 H30 N2 O3 S
• Calculated formula: C25 H30 N2 O3 S
• Title of publication: Cu-Catalyzed iminative hydroolefination of unactivated alkynes en route to 4-imino-tetrahydropyridines and 4-aminopyridines.
• Authors of publication: Kumar, Ravi; Thorat, Shridhar H.; Reddy, Maddi Sridhar
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 92
• Pages of publication: 13475 - 13478
• a: 15.6911 ± 0.0013 Å
• b: 7.8759 ± 0.0007 Å
• c: 19.8219 ± 0.0014 Å
• α: 90°
• β: 106.907 ± 0.002°
• γ: 90°
• Cell volume: 2343.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No