Information card for entry 7126955

Structure parameters

• Formula: C24 H22 O2
• Calculated formula: C24 H22 O2
• SMILES: O1c2ccccc2[C@@H]2C[C@]1(OC[C@@H]2Cc1ccccc1)c1ccccc1
• Title of publication: Highly enantioselective addition of aliphatic aldehydes to 2-hydroxychalcone enabled by cooperative organocatalysts.
• Authors of publication: Hu, Jiadong; Gao, Yu-Qi; Xu, Dongyang; Chen, Le; Wen, Wen; Hou, Yi; Chen, Lu; Xie, Weiqing
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 69
• Pages of publication: 10018 - 10021
• a: 6.8735 ± 0.0001 Å
• b: 8.7567 ± 0.0001 Å
• c: 31.8081 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1914.5 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0401
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No