Information card for entry 4108016

Structure parameters

• Formula: C24 H32 F24 Li N O8 W
• Calculated formula: C24 H32 F24 Li N O8 W
• Title of publication: Synthetic, Mechanistic, and Computational Investigations of Nitrile-Alkyne Cross-Metathesis
• Authors of publication: Andrea M. Geyer; Eric S. Wiedner; J. Brannon Gary; Robyn L. Gdula; Nicola C. Kuhlmann; Marc J. A. Johnson; Barry D. Dunietz; Jeff W. Kampf
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 8984 - 8999
• a: 22.88 ± 0.005 Å
• b: 18.04 ± 0.004 Å
• c: 36.791 ± 0.007 Å
• α: 90°
• β: 90.034 ± 0.003°
• γ: 90°
• Cell volume: 15186 ± 6 ų
• Cell temperature: 108 ± 2 K
• Ambient diffraction temperature: 108 ± 2 K
• Number of distinct elements: 7
• 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: 0.0292
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0486
• Weighted residual factors for all reflections included in the refinement: 0.0504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No