Information card for entry 4513924

Structure parameters

• Common name: AESI-295
• Chemical name: Compound-L2c-Rh
• Formula: C26 H35 B F4 P Rh
• Calculated formula: C26 H35 B F4 P Rh
• SMILES: [c]123[cH]4[cH]5[cH]6[cH]7[cH]1[Rh]134567([CH2]=[CH2]1)[P](c1c2cccc1)(C1CCCCC1)C1CCCCC1.[B](F)(F)(F)[F-]
• Title of publication: Synthetic and Computational Studies on the Rhodium-Catalyzed Hydroamination of Aminoalkenes
• Authors of publication: Strom, Alexandra E.; Balcells, David; Hartwig, John F.
• Journal of publication: ACS Catalysis
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 9
• Pages of publication: 5651
• a: 10.927 ± 0.002 Å
• b: 14.743 ± 0.003 Å
• c: 15.848 ± 0.003 Å
• α: 106.91 ± 0.009°
• β: 90.715 ± 0.009°
• γ: 94.619 ± 0.01°
• Cell volume: 2433 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections included in the refinement: 0.0554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No