Information card for entry 7019744

Structure parameters

• Common name: Gemphos
• Formula: C40 H35 B F4 P2
• Calculated formula: C40 H35 B F4 P2
• SMILES: C1Cc2c(cc(cc2)CCc2cc(c1cc2)P(c1ccccc1)c1ccccc1)[PH+](c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-]
• Title of publication: [2.2]Paracyclophane derived bisphosphines for the activation of hydrogen by FLPs: application in domino hydrosilylation/hydrogenation of enones.
• Authors of publication: Greb, Lutz; Oña-Burgos, Pascual; Kubas, Adam; Falk, Florian C.; Breher, Frank; Fink, Karin; Paradies, Jan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 30
• Pages of publication: 9056 - 9060
• a: 9.6069 ± 0.0019 Å
• b: 17.796 ± 0.004 Å
• c: 10.21 ± 0.002 Å
• α: 90°
• β: 107.14 ± 0.03°
• γ: 90°
• Cell volume: 1668 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No