Information card for entry 4063438

Structure parameters

• Formula: C54 H72 B2 P2
• Calculated formula: C54 H72 B2 P2
• Title of publication: Platinum-Catalyzed Asymmetric Alkylation of Bis(isitylphosphino)ethane: Stereoselectivity Reversal in Successive Formation of Two P−C Bonds
• Authors of publication: Chapp, Timothy W.; Glueck, David S.; Golen, James A.; Moore, Curtis E.; Rheingold, Arnold L.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 2
• Pages of publication: 378
• a: 30.6779 ± 0.0006 Å
• b: 18.9288 ± 0.0003 Å
• c: 16.8358 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9776.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1039
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.2069
• Weighted residual factors for all reflections included in the refinement: 0.24
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No