Information card for entry 4106874

Structure parameters

• Formula: C21 H22 N2 O3
• Calculated formula: C21 H22 N2 O3
• SMILES: O(CC)C(=O)/C(=N/N[C@@H]1C(=O)c2ccccc2CC1)Cc1ccccc1
• Title of publication: New Electrophilic Addition of α-Diazoesters with Ketones for Enantioselective C-N Bond Formation
• Authors of publication: Wei Li; Xiaohua Liu; Xiaoyu Hao; Xiaolei Hu; Yangyang Chu; Weidi Cao; Song Qin; Changwei Hu; Lili Lin; Xiaoming Feng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 15268 - 15271
• a: 5.2114 ± 0.001 Å
• b: 18.831 ± 0.004 Å
• c: 19.186 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1882.8 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No