Information card for entry 1570370

Structure parameters

• Formula: C32 H53 B O2 Sn
• Calculated formula: C32 H53 B O2 Sn
• Title of publication: A general approach to stereospecific Pd-catalyzed cross-coupling reactions of benzylic stereocenters.
• Authors of publication: Binayeva, Meruyert; Ma, Xinghua; Ghaemimohammadi, Pejman; Biscoe, Mark R.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 48
• Pages of publication: 14124 - 14130
• a: 10.8925 ± 0.0004 Å
• b: 19.7704 ± 0.0007 Å
• c: 15.6033 ± 0.0005 Å
• α: 90°
• β: 109.867 ± 0.001°
• γ: 90°
• Cell volume: 3160.17 ± 0.19 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No