Information card for entry 1507016

Structure parameters

• Formula: C16 H19 Cu I N Si
• Calculated formula: C12.8 H15.2 Cu0.8 I0.8 N0.8 Si0.8
• SMILES: [I]([Cu]123[n]4ccccc4[Si](C)(C)[CH]1=[CH]2c1ccc(cc1)C)[Cu]12([n]4ccccc4[Si](C)(C)[CH]1=[CH]2c1ccc(cc1)C)[I]3
• Title of publication: Stereoselective synthesis of multisubstituted butadienes through directed Mizoroki-Heck reaction and homocoupling reaction of vinyl(2-pyridyl)silane.
• Authors of publication: Itami, Kenichiro; Ushiogi, Yousuke; Nokami, Toshiki; Ohashi, Youichi; Yoshida, Jun-ichi
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 21
• Pages of publication: 3695 - 3698
• a: 8.5498 ± 0.0005 Å
• b: 14.413 ± 0.001 Å
• c: 14.731 ± 0.002 Å
• α: 89.934 ± 0.004°
• β: 90.007 ± 0.006°
• γ: 82.093 ± 0.002°
• Cell volume: 1798 ± 0.3 ų
• Cell temperature: 296.1 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 significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 2.25
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No