Information card for entry 4515645

Structure parameters

• Formula: C21 H27 N O5
• Calculated formula: C21 H27 N O5
• Title of publication: Synergetic Tandem Enantiomeric Enrichment in Catalytic Asymmetric Multi-Component Reactions (AMCRs): Highly Enantioselective Construction of Tetracyclic Indolines with Four Continuous Stereocenters
• Authors of publication: Kuang, Xiao-Kang; Zhu, Jun; Zhou, Li; Wang, Lijia; Wang, Sunewang R.; Tang, Yong
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 6
• Pages of publication: 4991
• a: 8.3767 ± 0.0009 Å
• b: 12.1262 ± 0.0013 Å
• c: 39.035 ± 0.004 Å
• α: 90°
• β: 93.093 ± 0.003°
• γ: 90°
• Cell volume: 3959.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1135
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1648
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No