Information card for entry 4124334

Structure parameters

• Formula: C30 H41 N O5 S Si
• Calculated formula: C30 H41 N O5 S Si
• SMILES: S(=O)(=O)(N1c2c([C@H]3CCCCC(=C(C(=O)OCC)[C@H]13)O[Si](C)(C)C(C)(C)C)cccc2)c1ccc(cc1)C
• Title of publication: An Arylative Ring Expansion Cascade of Fused Cyclobutenes via Short-Lived Intermediates with Planar Chirality.
• Authors of publication: Arichi, Norihito; Yamada, Ken-Ichi; Yamaoka, Yousuke; Takasu, Kiyosei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 30
• Pages of publication: 9579 - 9582
• a: 13.3551 ± 0.0011 Å
• b: 13.3626 ± 0.0009 Å
• c: 18.1872 ± 0.0012 Å
• α: 106.141 ± 0.008°
• β: 106.275 ± 0.008°
• γ: 93.457 ± 0.007°
• Cell volume: 2959 ± 0.4 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1705
• Weighted residual factors for all reflections included in the refinement: 0.1794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No