Information card for entry 7160507

Structure parameters

• Formula: C28 H27 N O3
• Calculated formula: C28 H27 N O3
• Title of publication: Electrochemical regioselective reduction of α-keto amides with methanol as a hydrogen source.
• Authors of publication: Zhang, Jin-Jin; Wang, Jing-Hong; Sang, Ya-Hui; Qin, Hai-Juan; Chen, Chao; Liu, Wei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 20
• Pages of publication: 4922 - 4926
• a: 9.36186 ± 0.00016 Å
• b: 16.38187 ± 0.0002 Å
• c: 15.377 ± 0.0003 Å
• α: 90°
• β: 102.909 ± 0.0017°
• γ: 90°
• Cell volume: 2298.69 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0445
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No