Information card for entry 1573840

Structure parameters

• Common name: Furil, phase I
• Chemical name: Di(furan-2-yl)ethanedione
• Formula: C10 H6 O4
• Calculated formula: C10 H6 O4
• Title of publication: Double-core nanothread formation from α-furil <i>via</i> a pressure-induced planarization pathway.
• Authors of publication: Dunning, Samuel G.; Hari, Anirudh; Zhu, Li; Chen, Bo; Cody, George D.; Romi, Sebastiano; Zhang, Dongzhou; Strobel, Timothy A.
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 9
• Pages of publication: 4144 - 4151
• a: 14.617 ± 0.0009 Å
• b: 30.092 ± 0.012 Å
• c: 3.6052 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1585.8 ± 0.7 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 3
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.2018
• Residual factor for significantly intense reflections: 0.1158
• Weighted residual factors for significantly intense reflections: 0.2565
• Weighted residual factors for all reflections included in the refinement: 0.2823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.365
• Diffraction radiation wavelength: 0.434 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No