Information card for entry 7154196

Structure parameters

• Formula: C19 H16 Br N O2
• Calculated formula: C19 H16 Br N O2
• SMILES: Brc1cc2[C@@H]3N(CCc2cc1)C(=O)C[C@H]3C(=O)c1ccccc1
• Title of publication: Enantioselective synthesis of benzoindolizidine derivatives using chiral phase-transfer catalytic intramolecular domino aza-Michael addition/alkylation.
• Authors of publication: Guo, Jiajia; Yu, Shouyun
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 4
• Pages of publication: 1179 - 1186
• a: 17.158 ± 0.003 Å
• b: 6.001 ± 0.0012 Å
• c: 15.681 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1614.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1486
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No