Information card for entry 4514739

Structure parameters

• Formula: C29 H42 F N Ni O3 P2 S
• Calculated formula: C29 H42 F N Ni O3 P2 S
• Title of publication: Nickel-Catalyzed Stille Cross Coupling of C-O Electrophiles.
• Authors of publication: Russell, John E. A.; Entz, Emily D.; Joyce, Ian M.; Neufeldt, Sharon R.
• Journal of publication: ACS catalysis
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 4
• Pages of publication: 3304 - 3310
• a: 8.6752 ± 0.0003 Å
• b: 12.5702 ± 0.0004 Å
• c: 14.4059 ± 0.0005 Å
• α: 90°
• β: 101.795 ± 0.001°
• γ: 90°
• Cell volume: 1537.78 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No