Information card for entry 4060266

Structure parameters

• Formula: C11 H10 O3
• Calculated formula: C11 H10 O3
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 8.943 ± 0.003 Å
• b: 9.95 ± 0.003 Å
• c: 10.833 ± 0.004 Å
• α: 90°
• β: 112.996 ± 0.005°
• γ: 90°
• Cell volume: 887.4 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No