Information card for entry 4037804

Structure parameters

• Formula: C28 H28 N4 O8 Rh2
• Calculated formula: C28 H28 N4 O8 Rh2
• SMILES: [Rh]123([Rh]4(OC(=O)C)([O]=C(O1)C)(OC(=[O]2)C)[n]1ccccc1c1[n]4cccc1)(OC(=O)C)[n]1ccccc1c1[n]3cccc1
• Title of publication: Bimetallic Photoredox Catalysis: Visible Light-Promoted Aerobic Hydroxylation of Arylboronic Acids with a Dirhodium(II) Catalyst.
• Authors of publication: Yang, Hsiang-Ming; Liu, Ming-Lun; Tu, Jing-Wen; Miura-Stempel, Emily; Campbell, Michael G.; Chuang, Gary Jing
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• a: 9.7654 ± 0.0002 Å
• b: 17.1242 ± 0.0003 Å
• c: 17.5385 ± 0.0003 Å
• α: 90°
• β: 105.677 ± 0.002°
• γ: 90°
• Cell volume: 2823.77 ± 0.09 ų
• Cell temperature: 99.9 ± 0.5 K
• Ambient diffraction temperature: 99.9 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No