Information card for entry 7160362

Structure parameters

• Formula: C35 H48 N2 O8 Rh2
• Calculated formula: C35 H48 N2 O8 Rh2
• Title of publication: Efficient Piancatelli rearrangement of HMF derivatives under microwave activation or subcritical water conditions to produce functionalized hydroxylated cyclopentenones.
• Authors of publication: Youssef-Saliba, Sparta; Mayet, Clémentine; Elslande, Elsa Van; Le Goff, Géraldine; Betzer, Jean-François
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 11
• Pages of publication: 2683 - 2690
• a: 10.675 ± 0.0004 Å
• b: 16.8487 ± 0.0005 Å
• c: 21.2526 ± 0.0007 Å
• α: 90°
• β: 95.754 ± 0.003°
• γ: 90°
• Cell volume: 3803.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No