Information card for entry 7158251

Structure parameters

• Formula: C19 H18 Br N O3
• Calculated formula: C19 H18 Br N O3
• SMILES: Brc1cc2c([C@@]3(N(C2=O)CCc2c3cc(OC)c(OC)c2)C)cc1
• Title of publication: Diverse privileged <i>N</i>-polycyclic skeletons accessed from a metal-free cascade cyclization reaction.
• Authors of publication: Li, Wenzhong; Wang, Yu; Qi, Huijing; Shi, Ran; Li, Jiazhu; Chen, Si; Xu, Xin-Ming; Wang, Wei-Li
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 37
• Pages of publication: 8086 - 8095
• a: 10.7269 ± 0.0001 Å
• b: 10.7269 ± 0.0001 Å
• c: 14.5422 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1673.32 ± 0.04 ų
• Cell temperature: 170 ± 0.1 K
• Ambient diffraction temperature: 170 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No