Information card for entry 4124179

Structure parameters

• Formula: C41 H56 I N3 Ni O3
• Calculated formula: C41 H56 I N3 Ni O3
• Title of publication: Highly Regioselective Indoline Synthesis under Nickel/Photoredox Dual Catalysis.
• Authors of publication: Tasker, Sarah Z.; Jamison, Timothy F.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 30
• Pages of publication: 9531 - 9534
• a: 11.9159 ± 0.0002 Å
• b: 13.6522 ± 0.0003 Å
• c: 13.8179 ± 0.0003 Å
• α: 68.5985 ± 0.0009°
• β: 77.8452 ± 0.001°
• γ: 82.4777 ± 0.001°
• Cell volume: 2042.34 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No