Information card for entry 4071657

Structure parameters

• Formula: C17 H25 F6 O2 P Ru
• Calculated formula: C17 H25 F6 O2 P Ru
• SMILES: [Ru]1234567([O]=C(O1)C)(C[CH]2=[CH]3C=C)[c]1([c]4(C)[c]5([c]6(C)[c]71C)C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Facile Ruthenium(IV)-Catalyzed Single and Double Allylation of Indole Compounds using Alcohols as Substrates: Aspects of Ruthenium(IV) Allyl Chemistry
• Authors of publication: Gruber, Stefan; Zaitsev, Alexey B.; Wörle, Michael; Pregosin, Paul S.; Veiros, Luis F.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 15
• Pages of publication: 3796
• a: 9.0768 ± 0.0007 Å
• b: 8.3752 ± 0.0006 Å
• c: 13.2634 ± 0.0009 Å
• α: 90°
• β: 95.86 ± 0.001°
• γ: 90°
• Cell volume: 1003.01 ± 0.13 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No