Information card for entry 7111978

Structure parameters

• Formula: C33 H24 O4
• Calculated formula: C33 H24 O4
• SMILES: O=C(c1ccccc1)C1(O[C@H](O[C@H]1c1ccccc1)c1cccc2c1cccc2)C(=O)c1ccccc1
• Title of publication: Catalytic asymmetric [3+2] cycloaddition of aromatic aldehydes with oxiranes by C-C bond cleavage of epoxides: highly efficient synthesis of chiral 1,3-dioxolanes
• Authors of publication: Weiliang Chen; Lili Lin; Yunfei Cai; Yong Xia; Weidi Cao; Xiaohua Liu; Xiaoming Feng
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 2161
• a: 10.5563 ± 0.0006 Å
• b: 13.0186 ± 0.0006 Å
• c: 18.3454 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2521.2 ± 0.2 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.0405
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No