Information card for entry 4123836

Structure parameters

• Formula: C56 H70 O6 Si
• Calculated formula: C56 H70 O6 Si
• SMILES: [Si](OC1=C2[C@H](C(C[C@@H](C1)c1ccc(OC)cc1)(C(=O)OC1C3CC4CC(CC1C4)C3)C(=O)OC1C3CC4CC(CC1C4)C3)CCCC2)(c1ccccc1)(c1ccccc1)C(C)(C)C.[Si](OC1=C2[C@@H](C(C[C@H](C1)c1ccc(OC)cc1)(C(=O)OC1C3CC4CC(CC1C4)C3)C(=O)OC1C3CC4CC(CC1C4)C3)CCCC2)(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: 12.6391 ± 0.001 Å
• b: 14.6059 ± 0.0011 Å
• c: 15.1308 ± 0.0012 Å
• α: 118.732 ± 0.002°
• β: 91.087 ± 0.002°
• γ: 98.099 ± 0.002°
• Cell volume: 2412.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0906
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No