Information card for entry 4032219

Structure parameters

• Formula: C24 H24 Br N O5
• Calculated formula: C24 H24 Br N O5
• SMILES: c1(ccc(c(c1)C(C1=CCN(C1=O)C(=O)OC(C)(C)C)CC(=O)c1ccccc1)O)Br
• Title of publication: Diastereoselective Synthesis of Rauhut-Currier-Type Adducts via an Unexpected α-Addition of α,β-Unsaturated γ-Butyrolactams to Coumarin Derivatives.
• Authors of publication: Yang, Shu-Mei; Madhusudhan Reddy, Ganapuram; Liu, Meng-Hsien; Wang, Tzu-Ping; Yu, Jhen-Kuei; Lin, Wenwei
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 1
• Pages of publication: 781 - 789
• a: 35.968 ± 0.006 Å
• b: 13.63 ± 0.003 Å
• c: 10.231 ± 0.002 Å
• α: 90°
• β: 93.174 ± 0.01°
• γ: 90°
• Cell volume: 5008 ± 1.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.099
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No