Information card for entry 7158214

Structure parameters

• Formula: C30 H23 N O3
• Calculated formula: C30 H23 N O3
• SMILES: O(c1ccc2c(c1c1ccccc1NC(=O)OCc1ccccc1)cccc2)c1ccccc1
• Title of publication: Synthesis of non-C₂ symmetrical NOBIN-type biaryls through a cascade N-arylation and [3,3]-sigmatropic rearrangement from O-arylhydroxylamines and diaryliodonium salts.
• Authors of publication: Liu, Fengting; Wang, Min; Qu, Jiatong; Lu, Haifeng; Gao, Hongyin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 33
• Pages of publication: 7246 - 7251
• a: 9.4667 ± 0.0004 Å
• b: 10.6302 ± 0.0004 Å
• c: 12.236 ± 0.0004 Å
• α: 97.174 ± 0.003°
• β: 111.174 ± 0.003°
• γ: 92.35 ± 0.003°
• Cell volume: 1134.28 ± 0.08 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No