Information card for entry 4063440

Structure parameters

• Formula: C57 H76 O3 P2
• Calculated formula: C54 H68 O2 P2
• SMILES: C([P@@](=O)(Cc1cc2ccccc2cc1)c1c(cc(cc1C(C)C)C(C)C)C(C)C)C[P@](=O)(Cc1cc2ccccc2cc1)c1c(cc(cc1C(C)C)C(C)C)C(C)C
• 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: 22.621 ± 0.005 Å
• b: 11.064 ± 0.003 Å
• c: 21.618 ± 0.005 Å
• α: 90°
• β: 111.474 ± 0.005°
• γ: 90°
• Cell volume: 5035 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1842
• Weighted residual factors for all reflections included in the refinement: 0.1963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No