Information card for entry 1577261

Structure parameters

• Formula: C20 H16 O9
• Calculated formula: C20 H16 O9
• Title of publication: The elusive endo-product of the archetypal Diels-Alder reaction of furan and maleic anhydride – observed in the solid state at last
• Authors of publication: Lennox, Cameron B.; Taylor, Christopher; Huskić, Igor; Vainauskas, Jogirdas; Nickels, Christopher; Stein, Robin S.; Borchers, Tristan H.; Lutton Gething, A.R. Bonnie J.; Marrett, Joseph M.; Day, Graeme Matthew; Friščić, Tomislav
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 11.199 ± 0.0016 Å
• b: 5.4807 ± 0.0009 Å
• c: 14.732 ± 0.002 Å
• α: 90°
• β: 104.639 ± 0.015°
• γ: 90°
• Cell volume: 874.9 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• 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: 0.1017
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.1757
• Weighted residual factors for all reflections included in the refinement: 0.1921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No