Information card for entry 4037377

Structure parameters

• Formula: C22 H20 Cl N O5
• Calculated formula: C22 H20 Cl N O5
• Title of publication: Organocatalyzed Asymmetric Michael Addition of 1-Acetylindolin-3-ones to β,γ-Unsaturated α-Ketoesters: An Access to Chiral Indolin-3-ones with Two Adjacent Tertiary Stereogenic Centers.
• Authors of publication: Chen, Shanren; Wang, Youming; Zhou, Zhenghong
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 22
• Pages of publication: 11432 - 11438
• a: 10.451 ± 0.002 Å
• b: 34.794 ± 0.007 Å
• c: 11.219 ± 0.002 Å
• α: 90°
• β: 104.42 ± 0.03°
• γ: 90°
• Cell volume: 3951.1 ± 1.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0718
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No