Information card for entry 1558105

Structure parameters

• Formula: C33 H37 N O7
• Calculated formula: C33 H37 N O7
• SMILES: O(C(=O)[C@@H](C(=O)c1ccc(N(=O)=O)cc1)[C@@H](c1ccc(OC)cc1)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)CC
• Title of publication: Enantio- and diastereoselective diarylmethylation of 1,3-dicarbonyl compounds
• Authors of publication: Li, Xin; He, Songtao; Song, Qiuling
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 23
• Pages of publication: 5969 - 5973
• a: 10.4833 ± 0.0019 Å
• b: 14.435 ± 0.002 Å
• c: 21.245 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3214.9 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2473
• Residual factor for significantly intense reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.1593
• Weighted residual factors for all reflections included in the refinement: 0.2271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No