Information card for entry 7127463

Structure parameters

• Formula: C34 H38 Cl3 N O5
• Calculated formula: C34 H38 Cl3 N O5
• Title of publication: Organocatalytic and enantioselective [4+2] cyclization between hydroxymaleimides and <i>ortho</i>-hydroxyphenyl <i>para</i>-quinone methide-selective preparation of chiral hemiketals.
• Authors of publication: Xiang, Min; Li, Chen-Yi; Song, Xiang-Jia; Zou, Ying; Huang, Zhi-Cheng; Li, Xia; Tian, Fang; Wang, Li-Xin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 94
• Pages of publication: 14825 - 14828
• a: 10.538 ± 0.0006 Å
• b: 12.9179 ± 0.001 Å
• c: 13.0658 ± 0.0009 Å
• α: 98.879 ± 0.006°
• β: 105.364 ± 0.006°
• γ: 95.484 ± 0.006°
• Cell volume: 1677 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0934
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.1933
• Weighted residual factors for all reflections included in the refinement: 0.2204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No