Information card for entry 4022971

Structure parameters

• Formula: ?
• Calculated formula: C13 H10 O5
• Title of publication: The First Solid Enols of Anhydrides. Structure, Properties, and Enol/Anhydride Equilibria
• Authors of publication: Jinhua Song; Yi Xiong Lei; Zvi Rappoport
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 9152 - 9162
• a: 6.666 ± 0.002 Å
• b: 7.178 ± 0.002 Å
• c: 24.391 ± 0.005 Å
• α: 90°
• β: 92.68 ± 0.01°
• γ: 90°
• Cell volume: 1165.8 ± 0.5 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 293.2 K
• 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 significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.095
• Goodness-of-fit parameter for significantly intense reflections: 1.72
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No