Information card for entry 4126135

Structure parameters

• Common name: MA_03_102
• Chemical name: MA_03_102
• Formula: C45 H65 Cu N2 O Si
• Calculated formula: C45 H65 Cu N2 O Si
• Title of publication: Catalytic Anti-Markovnikov Hydroallylation of Terminal and Functionalized Internal Alkynes: Synthesis of Skipped Dienes and Trisubstituted Alkenes.
• Authors of publication: Mailig, Melrose; Hazra, Avijit; Armstrong, Megan K.; Lalic, Gojko
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 20
• Pages of publication: 6969 - 6977
• a: 14.0458 ± 0.0009 Å
• b: 20.6508 ± 0.0013 Å
• c: 14.499 ± 0.0009 Å
• α: 90°
• β: 93.587 ± 0.004°
• γ: 90°
• Cell volume: 4197.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No