Information card for entry 1507050

Structure parameters

• Formula: C24 H20 N2 O9
• Calculated formula: C24 H20 N2 O9
• SMILES: O1[C@H]([C@](O[C@H]1c1ccc(OC)cc1)(c1ccccc1)C(=O)OC)c1ccc(N(=O)=O)cc1N(=O)=O.O1[C@@H]([C@@](O[C@@H]1c1ccc(OC)cc1)(c1ccccc1)C(=O)OC)c1ccc(N(=O)=O)cc1N(=O)=O
• 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: 10.471 ± 0.002 Å
• b: 9.614 ± 0.002 Å
• c: 22.286 ± 0.005 Å
• α: 90°
• β: 96.47 ± 0.02°
• γ: 90°
• Cell volume: 2229.2 ± 0.8 ų
• Cell temperature: 302 ± 2 K
• Ambient diffraction temperature: 302 ± 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: 0.0626
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No