Information card for entry 1577260

Structure parameters

• Chemical name: 7-oxabicyclo(2.2.1)-5-heptene-2,3-dicarboxylic anhydride cocrystal
• Formula: C16 H12 O8
• Calculated formula: C16 H12 O8
• 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: 11.9547 ± 0.0005 Å
• b: 5.4149 ± 0.0002 Å
• c: 12.0064 ± 0.0005 Å
• α: 90°
• β: 110.6 ± 0.002°
• γ: 90°
• Cell volume: 727.52 ± 0.05 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Ambient diffracton pressure: 1013 kPa
• Number of distinct elements: 3
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No