Information card for entry 4515643

Structure parameters

• Formula: C29 H34 Cl N O5
• Calculated formula: C29 H34 Cl N O5
• SMILES: Clc1cccc2N([C@@H]3[C@](c12)([C@H]1OCCC[C@@H]1CC3(C(=O)OCC)C(=O)OCC)C)Cc1ccccc1
• 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: 8.4142 ± 0.0014 Å
• b: 14.046 ± 0.002 Å
• c: 11.3304 ± 0.0019 Å
• α: 90°
• β: 104.324 ± 0.003°
• γ: 90°
• Cell volume: 1297.5 ± 0.4 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: 0.0516
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No