Information card for entry 7157406

Structure parameters

• Formula: C29 H32 Cl N O5
• Calculated formula: C29 H32 Cl N O5
• Title of publication: Organocatalytic asymmetric cascade 1,6-addition/hemiketalization/retro-Henry reaction of ortho-hydroxyphenyl-substituted p-QMs with α-nitroketones.
• Authors of publication: Zhou, Jing; Bai, Li-Juan; Liang, Guo-Juan; Xu, Qi-Gui; Zhou, Li-Ping; Zhou, Hui
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 14
• Pages of publication: 2641 - 2645
• a: 9.6244 ± 0.0003 Å
• b: 9.8943 ± 0.0003 Å
• c: 14.3864 ± 0.0005 Å
• α: 90°
• β: 94.36 ± 0.003°
• γ: 90°
• Cell volume: 1366 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No