Information card for entry 1543818

Structure parameters

• Formula: C38 H48 O6 Si
• Calculated formula: C38 H48 O6 Si
• SMILES: [Si](OC[C@@]1([C@H]([C@H](C(=C[C@H]1COCc1ccccc1)C)C)COC(=O)OCC)C=O)(c1ccccc1)(c1ccccc1)C(C)(C)C.[Si](OC[C@]1([C@@H]([C@@H](C(=C[C@@H]1COCc1ccccc1)C)C)COC(=O)OCC)C=O)(c1ccccc1)(c1ccccc1)C(C)(C)C
• Title of publication: Anomalous Reactivity and Selectivity in the Intermolecular Diels-Alder Reactions of Multisubstituted Acyclic Dienes with Geometrical Isomers of Enals.
• Authors of publication: Zhou, Jia-Hui; Cai, Sai-Hu; Xu, Yun-He; Loh, Teck-Peng
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 10
• Pages of publication: 2355 - 2358
• a: 11.2348 ± 0.0005 Å
• b: 11.3819 ± 0.0006 Å
• c: 14.1336 ± 0.0006 Å
• α: 87.511 ± 0.004°
• β: 81.82 ± 0.004°
• γ: 82.982 ± 0.004°
• Cell volume: 1774.9 ± 0.15 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1307
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No