Information card for entry 1545687

Structure parameters

• Common name: JLH-3-168
• Chemical name: JLH-3-168
• Formula: C23 H20 Br2 N2 Ni O2
• Calculated formula: C23 H20 Br2 N2 Ni O2
• SMILES: Br[Ni]1([N]2[C@H]3[C@@H](OC=2C2(C4O[C@@H]5[C@H]([N]1=4)c1c(cccc1)C5)CC2)Cc1c3cccc1)Br
• Title of publication: Nickel-Catalyzed Enantioselective Cross-Coupling of N-Hydroxyphthalimide Esters with Vinyl Bromides.
• Authors of publication: Suzuki, Naoyuki; Hofstra, Julie L.; Poremba, Kelsey E.; Reisman, Sarah E.
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 8
• Pages of publication: 2150 - 2153
• a: 9.4823 ± 0.0006 Å
• b: 9.4823 ± 0.0006 Å
• c: 24.418 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2195.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No