Information card for entry 4068839

Structure parameters

• Common name: BJA-425
• Formula: C30 H26 F6 P2
• Calculated formula: C30 H26 F6 P2
• SMILES: c1(P(Cc2ccccc2C(F)(F)F)CCP(c2ccccc2)Cc2ccccc2C(F)(F)F)ccccc1
• Title of publication: Substrate and Catalyst Screening in Platinum-Catalyzed Asymmetric Alkylation of Bis(secondary) Phosphines. Synthesis of an Enantiomerically PureC2-Symmetric Diphosphine
• Authors of publication: Anderson, Brian J.; Glueck, David S.; DiPasquale, Antonio G.; Rheingold, Arnold L.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 1
• Pages of publication: 386
• a: 14.533 ± 0.0018 Å
• b: 15.63 ± 0.0019 Å
• c: 11.652 ± 0.0014 Å
• α: 90°
• β: 94.356 ± 0.002°
• γ: 90°
• Cell volume: 2639.1 ± 0.6 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: 0.0383
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No