Information card for entry 7129589

Structure parameters

• Formula: C28 H34 O4
• Calculated formula: C28 H34 O4
• SMILES: O(C(=O)C(=O)c1ccc(cc1)C)[C@@H]1CC2=CC[C@@H]3[C@@H]([C@@]2(C)CC1)CC[C@]1([C@H]3CCC1=O)C
• Title of publication: Electrochemical Two-electron Oxygen Reduction Reaction (ORR) Induced Aerobic Oxidation of α- Diazoesters
• Authors of publication: Ruan, Mengyao; Chen, Liang; Wen, ziyang; Yang, Fan; Ma, Chao; Lu, Cuifen; Yang, Guichun; Gao, Meng
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 6.7004 ± 0.0002 Å
• b: 18.4346 ± 0.0003 Å
• c: 10.0905 ± 0.0002 Å
• α: 90°
• β: 107.339 ± 0.002°
• γ: 90°
• Cell volume: 1189.73 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No