Information card for entry 7121274

Structure parameters

• Formula: C26 H24 O4
• Calculated formula: C26 H24 O4
• SMILES: C1(C)(C)OC(=O)/C(=C(C)\C[C@H](c2ccccc2)c2cc3ccccc3cc2)C(=O)O1
• Title of publication: Pd(ii)-Catalyzed asymmetric 1,6-conjugate addition of arylboronic acids to Meldrum's acid-derived dienes.
• Authors of publication: Chen, Song; Wu, Liang; Shao, Qihang; Yang, Guoqiang; Zhang, Wanbin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 20
• Pages of publication: 2522 - 2525
• a: 7.4823 ± 0.0003 Å
• b: 13.0258 ± 0.0006 Å
• c: 21.7018 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2115.12 ± 0.16 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: 0.0296
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No