Information card for entry 4032299

Structure parameters

• Formula: C21 H22 O4
• Calculated formula: C21 H22 O4
• Title of publication: Sc(OTf)3 Catalyzed [4 + 2]-Annulation Reaction between Electron-Rich Phenols and Donor-Acceptor Cyclopropanes: Synthesis of Polysubstituted Dihydronaphthols.
• Authors of publication: Luo, Yong-Chun; Ma, He; Hu, Xiu-Qin; Xu, Peng-Fei
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 2
• Pages of publication: 1013 - 1023
• a: 7.4415 ± 0.0004 Å
• b: 19.8456 ± 0.001 Å
• c: 12.5838 ± 0.0007 Å
• α: 90°
• β: 106.703 ± 0.006°
• γ: 90°
• Cell volume: 1779.98 ± 0.17 ų
• Cell temperature: 294.06 ± 0.1 K
• Ambient diffraction temperature: 294.06 ± 0.1 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: 0.0974
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1565
• Weighted residual factors for all reflections included in the refinement: 0.1796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No