Information card for entry 4068838

Structure parameters

• Formula: C30 H26 B2 F6 P2
• Calculated formula: C30 H26 B2 F6 P2
• SMILES: [P@@](c1ccccc1)(CC[P@@](c1ccccc1)(Cc1ccccc1C(F)(F)F)[BH3])([BH3])Cc1c(cccc1)C(F)(F)F
• 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: 10.3469 ± 0.0007 Å
• b: 13.8409 ± 0.0009 Å
• c: 20.1361 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2883.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0483
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No