Information card for entry 4124336

Structure parameters

• Formula: C35 H43 N O5 S Si
• Calculated formula: C35 H43 N O5 S Si
• SMILES: S(=O)(=O)(N1c2c([C@H]3CCCc4c(C(=C(C(=O)OCC)[C@H]13)O[Si](C)(C)C(C)(C)C)cccc4)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: 10.0449 ± 0.0007 Å
• b: 14.7417 ± 0.001 Å
• c: 22.01 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3259.2 ± 0.4 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No