Information card for entry 7127462

Structure parameters

• Formula: C33 H37 N O5
• Calculated formula: C33 H37 N O5
• SMILES: C1(=O)[C@@]2([C@@](C(=O)N1c1ccccc1)(CC)[C@H](c1c(cccc1)O2)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)O
• 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: 10.2748 ± 0.0004 Å
• b: 14.2248 ± 0.0003 Å
• c: 10.9525 ± 0.0003 Å
• α: 90°
• β: 115.5 ± 0.004°
• γ: 90°
• Cell volume: 1444.84 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No