Information card for entry 1558104

Structure parameters

• Formula: C29 H38 O5
• Calculated formula: C29 H38 O5
• SMILES: O(C(=O)[C@@]1(C(=O)CCC1)[C@@H](c1ccc(OC)cc1)c1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)C
• 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: 10.047 ± 0.0009 Å
• b: 11.0487 ± 0.0007 Å
• c: 24.242 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2691 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.1185
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1506
• Weighted residual factors for all reflections included in the refinement: 0.1814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No