Information card for entry 7014891

Structure parameters

• Formula: C10 H14 O5
• Calculated formula: C10 H14 O5
• SMILES: O1[C@](O)([C@@](O)(C(=C1C)C(=O)C)C(=O)C)C.O1[C@@](O)([C@](O)(C(=C1C)C(=O)C)C(=O)C)C
• Title of publication: The synergistic effect of [WZn(VO)2(ZnW9O34)2]12- cores and peripheral metal sites in catalytic oxidative cyclization of acetylacetone.
• Authors of publication: Shi, Lian-Xu; Zhang, Xian-Wei; Wu, Chuan-De
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 4
• Pages of publication: 779 - 781
• a: 7.4227 ± 0.0004 Å
• b: 8.4007 ± 0.0006 Å
• c: 9.1488 ± 0.0006 Å
• α: 85.546 ± 0.006°
• β: 69.109 ± 0.006°
• γ: 81.652 ± 0.005°
• Cell volume: 527.12 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0767
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.177
• Weighted residual factors for all reflections included in the refinement: 0.193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No