Information card for entry 4128510

Structure parameters

• Formula: C88 H104 O8
• Calculated formula: C88 H104 O8
• Title of publication: Catalytic Cross-Coupling of Secondary Alcohols.
• Authors of publication: Thiyagarajan, Subramanian; Gunanathan, Chidambaram
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 9
• Pages of publication: 3822 - 3827
• a: 18.4511 ± 0.0008 Å
• b: 7.8907 ± 0.0002 Å
• c: 13.3139 ± 0.0004 Å
• α: 90°
• β: 108.175 ± 0.004°
• γ: 90°
• Cell volume: 1841.69 ± 0.12 ų
• Cell temperature: 294.8 ± 0.3 K
• Ambient diffraction temperature: 294.8 ± 0.3 K
• Number of distinct elements: 3
• 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: 0.1686
• Residual factor for significantly intense reflections: 0.1433
• Weighted residual factors for significantly intense reflections: 0.3234
• Weighted residual factors for all reflections included in the refinement: 0.3537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.439
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No