Information card for entry 7158250

Structure parameters

• Formula: C21 H20 N2 O2
• Calculated formula: C21 H20 N2 O2
• SMILES: O=C(OC)N1CCc2c([nH]c3c2cccc3)C(=C)c2c(cccc2)C1
• 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: 10.0469 ± 0.0001 Å
• b: 10.3794 ± 0.0002 Å
• c: 16.33 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1702.91 ± 0.05 ų
• Cell temperature: 170 ± 0.1 K
• Ambient diffraction temperature: 170 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0326
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No