Information card for entry 7159249

Structure parameters

• Formula: C18 H19 N O4
• Calculated formula: C18 H19 N O4
• SMILES: O=C(Nc1ccc(c2ccccc2)cc1)C(OC)CC(=O)OC
• Title of publication: Electrocatalytic ring-opening dihydroalkoxylation of <i>N</i>-aryl maleimides with alcohols under metal- and oxidant-free conditions.
• Authors of publication: Zhang, Zhang; Wang, Ying-Chun; Tang, Hai-Tao; Pan, Ying-Ming; Meng, Xiu-Jin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 15
• Pages of publication: 3177 - 3182
• a: 27.34 ± 0.004 Å
• b: 5.3646 ± 0.0006 Å
• c: 10.6018 ± 0.0013 Å
• α: 90°
• β: 94.192 ± 0.012°
• γ: 90°
• Cell volume: 1550.8 ± 0.3 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1369
• Residual factor for significantly intense reflections: 0.1125
• Weighted residual factors for significantly intense reflections: 0.2955
• Weighted residual factors for all reflections included in the refinement: 0.3212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.217
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No