Information card for entry 4032708

Structure parameters

• Formula: C30 H26 O5
• Calculated formula: C30 H26 O5
• SMILES: C1(=O)c2ccccc2C(=O)C21[C@@H](c1ccccc1)CC(=C(C(=O)C(C)C)[C@@H]2c1ccccc1O)O.C1(=O)c2ccccc2C(=O)C21[C@H](c1ccccc1)CC(=C(C(=O)C(C)C)[C@H]2c1ccccc1O)O
• Title of publication: Chemo- and Diastereoselective Michael-Michael-Acetalization Cascade for the Synthesis of 1,3-Indandione-Fused Spiro[4.5]decan Scaffolds.
• Authors of publication: Yang, Shu-Mei; Tsai, Yi-Ling; Reddy, Ganapuram Madhusudhan; Möhlmann, Lennart; Lin, Wenwei
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 17
• Pages of publication: 9182 - 9190
• a: 9.19 ± 0.003 Å
• b: 9.284 ± 0.003 Å
• c: 15.827 ± 0.005 Å
• α: 85.938 ± 0.008°
• β: 76.094 ± 0.007°
• γ: 63.729 ± 0.007°
• Cell volume: 1174.4 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1329
• 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