Information card for entry 4029190

Structure parameters

• Formula: C101 H104 Cl6 N8 O18 Pd S4 Si2
• Calculated formula: C101 H104 Cl6 N8 O18 Pd S4 Si2
• Title of publication: Applications of C-h functionalization logic to cyclobutane synthesis.
• Authors of publication: Gutekunst, Will R.; Baran, Phil S.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 6
• Pages of publication: 2430 - 2452
• a: 14.882 ± 0.004 Å
• b: 15.8 ± 0.004 Å
• c: 25.597 ± 0.007 Å
• α: 74.962 ± 0.003°
• β: 85.165 ± 0.003°
• γ: 66.031 ± 0.003°
• Cell volume: 5310 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1345
• Residual factor for significantly intense reflections: 0.1189
• Weighted residual factors for significantly intense reflections: 0.2544
• Weighted residual factors for all reflections included in the refinement: 0.2628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.227
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No