Information card for entry 4124335

Structure parameters

• Formula: C41 H47 N O4 Si
• Calculated formula: C41 H47 N O4 Si
• SMILES: [Si](OC1=C(C=C(CCCCC1)c1ccc(N(=O)=O)cc1)COC(c1ccccc1)(c1ccccc1)c1ccccc1)(C)(C)C(C)(C)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: 14.5626 ± 0.0006 Å
• b: 11.2082 ± 0.0004 Å
• c: 22.4363 ± 0.0007 Å
• α: 90°
• β: 104.211 ± 0.0012°
• γ: 90°
• Cell volume: 3550 ± 0.2 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No