Information card for entry 1507051

Structure parameters

• Formula: C27 H25 N O7
• Calculated formula: C27 H25 N O7
• SMILES: O1[C@](c2ccccc2)([C@@H](O[C@@H]1c1c(OC)cc(OC)cc1OC)c1ccc(cc1)C#N)C(=O)OC.O1[C@@](c2ccccc2)([C@H](O[C@H]1c1c(OC)cc(OC)cc1OC)c1ccc(cc1)C#N)C(=O)OC
• Title of publication: Highly chemoselective 2,4,5-triaryl-1,3-dioxolane formation from intermolecular 1,3-dipolar addition of carbonyl ylide with aryl aldehydes.
• Authors of publication: Lu, Chong-Dao; Chen, Zhi-Yong; Liu, Hui; Hu, Wen-Hao; Mi, Ai-Qiao
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 18
• Pages of publication: 3071 - 3074
• a: 21.029 ± 0.005 Å
• b: 13.441 ± 0.003 Å
• c: 8.726 ± 0.002 Å
• α: 90°
• β: 94.38 ± 0.02°
• γ: 90°
• Cell volume: 2459.2 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0931
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 0.81
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No