Information card for entry 4107714

Structure parameters

• Formula: C15 H14 O3
• Calculated formula: C15 H14 O3
• SMILES: O=C1OCC[C@@H]2C1=C[C@H]1O[C@]1(C2)c1ccccc1.O=C1OCC[C@H]2C1=C[C@@H]1O[C@@]1(C2)c1ccccc1
• Title of publication: Tandem Michael Addition/Ylide Epoxidation for the Synthesis of Highly Functionalized Cyclohexadiene Epoxide Derivatives
• Authors of publication: Qing-Gang Wang; Xian-Ming Deng; Ben-Hu Zhu; Long-Wu Ye; Xiu-Li Sun; Chuan-Ying Li; Chun-Yin Zhu; Qi Shen; Yong Tang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 5408 - 5409
• a: 7.7112 ± 0.001 Å
• b: 8.5369 ± 0.0011 Å
• c: 18.596 ± 0.002 Å
• α: 90°
• β: 97.402 ± 0.003°
• γ: 90°
• Cell volume: 1214 ± 0.3 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 all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No