Information card for entry 7063855

Structure parameters

• Formula: C18 H16 N2 O6
• Calculated formula: C18 H16 N2 O6
• Title of publication: A concise and highly diastereoselective one-pot synthesis of vicinal tetrasubstituted furofuran analogues
• Authors of publication: Sneka, Chinnaiyah; Manikandan, Balasubramaniyam; Thamotharan, Subbiah; Blacque, Olivier; Selva Ganesan, Subramaniapillai
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 26
• Pages of publication: 11297 - 11303
• a: 12.2247 ± 0.0002 Å
• b: 9.2088 ± 0.0001 Å
• c: 14.6416 ± 0.0002 Å
• α: 90°
• β: 98.134 ± 0.002°
• γ: 90°
• Cell volume: 1631.69 ± 0.04 ų
• Cell temperature: 160 ± 0.1 K
• Ambient diffraction temperature: 160 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No