Information card for entry 1577262

Structure parameters

• Chemical name: endo-7-oxabicyclo(2.2.1)-5-heptene-2,3-dicarboxylic anhydride
• Formula: C8 H6 O4
• Calculated formula: C8 H6 O4
• 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: 11.2298 ± 0.0004 Å
• b: 5.675 ± 0.0002 Å
• c: 11.3656 ± 0.0004 Å
• α: 90°
• β: 103.903 ± 0.001°
• γ: 90°
• Cell volume: 703.1 ± 0.04 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 K
• Ambient diffracton pressure: 1013 kPa
• Number of distinct elements: 3
• 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: 0.0413
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No