Information card for entry 4123838

Structure parameters

• Formula: C58 H67 O6 Si
• Calculated formula: C58 H67 O6 Si
• SMILES: [Si](OC1=C(CC(CC(C1)c1ccc(OC)cc1)(C(=O)OC1C2CC3CC1CC(C2)C3)C(=O)OC1C2CC3CC(CC1C3)C2)c1ccccc1)(c1ccccc1)(c1ccccc1)C(C)(C)C
• Title of publication: Asymmetric Annulation of Donor-Acceptor Cyclopropanes with Dienes.
• Authors of publication: Xu, Hao; Hu, Jiang-Lin; Wang, Lijia; Liao, Saihu; Tang, Yong
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 25
• Pages of publication: 8006 - 8009
• a: 12.024 ± 0.001 Å
• b: 26.231 ± 0.002 Å
• c: 15.7584 ± 0.0015 Å
• α: 90°
• β: 94.182 ± 0.002°
• γ: 90°
• Cell volume: 4957 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1246
• Residual factor for significantly intense reflections: 0.0828
• Weighted residual factors for significantly intense reflections: 0.2309
• Weighted residual factors for all reflections included in the refinement: 0.2556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No