Information card for entry 4068840

Structure parameters

• Common name: BJA-427
• Formula: C30 H32 B2 F6 P2
• Calculated formula: C30 H32 B2 F6 P2
• SMILES: c1(ccccc1)[P@](Cc1ccccc1C(F)(F)F)(CC[P@](c1ccccc1)(Cc1ccccc1C(F)(F)F)[BH3])[BH3]
• 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: 10.38 ± 0.0016 Å
• b: 13.92 ± 0.002 Å
• c: 20.209 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2920 ± 0.8 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.239
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No