Information card for entry 7238810

Structure parameters

• Common name: 3-hydroxy-4-phenyl-3-cyclobutene-1,2-dione
• Chemical name: 3-hydroxy-4-phenyl-3-cyclobutene-1,2-dione
• Formula: C10 H8 O4
• Calculated formula: C10 H8 O4
• Title of publication: Hydrogel formed by a simple squaric acid derivative
• Authors of publication: Ohsedo, Yutaka; Miyamoto, Misao; Oono, Masashi; Shikii, Kazuaki; Tanaka, Akihiro
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 12
• Pages of publication: 3844
• a: 6.9284 ± 0.0004 Å
• b: 8.1002 ± 0.0005 Å
• c: 9.1236 ± 0.0005 Å
• α: 75.226 ± 0.003°
• β: 85.617 ± 0.003°
• γ: 66.772 ± 0.003°
• Cell volume: 454.8 ± 0.05 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No