Information card for entry 7128832

Structure parameters

• Common name: ORGANIC
• Formula: C18 H20 N2 O3
• Calculated formula: C18 H20 N2 O3
• SMILES: O=C(Nc1ccc(cc1OC(C)(C)C)C(=O)C)c1ncccc1
• Title of publication: Copper(II) mediated <i>ortho</i> C-H alkoxylation of aromatic amines using organic peroxides: efficient synthesis of hindered ethers.
• Authors of publication: Sarkar, Souvik; Sahoo, Tapan; Sen, Chiranjit; Ghosh, Subhash Chandra
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 71
• Pages of publication: 8949 - 8952
• a: 7.0141 ± 0.0007 Å
• b: 11.039 ± 0.0011 Å
• c: 22.18 ± 0.002 Å
• α: 90°
• β: 97.678 ± 0.003°
• γ: 90°
• Cell volume: 1702 ± 0.3 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1973
• Residual factor for significantly intense reflections: 0.0866
• Weighted residual factors for significantly intense reflections: 0.2518
• Weighted residual factors for all reflections included in the refinement: 0.3669
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No