Information card for entry 7159384

Structure parameters

• Formula: C65 H63 F N3 O6 Rh
• Calculated formula: C61 H55 F N3 O4 Rh
• SMILES: [Rh]123(Oc4cccc(F)c4C4OC[C@H]([N]1=4)c1ccccc1)([n]1c(oc4ccc(cc14)C14CC5CC(C1)CC(C5)C4)c1c2cccc1)[n]1c(oc2ccc(cc12)C12CC4CC(C1)CC(C4)C2)c1c3cccc1
• Title of publication: Anion-accelerated asymmetric Nazarov cyclization: access to vicinal all-carbon quaternary stereocenters.
• Authors of publication: Dickinson, Cody F.; Yap, Glenn P. A.; Tius, Marcus A.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 24
• Pages of publication: 5014 - 5020
• a: 28.851 ± 0.0017 Å
• b: 15.3005 ± 0.0009 Å
• c: 12.0037 ± 0.0007 Å
• α: 90°
• β: 96.747 ± 0.002°
• γ: 90°
• Cell volume: 5262.2 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No