Information card for entry 4033758

Structure parameters

• Formula: C26 H35 N O
• Calculated formula: C26 H35 N O
• SMILES: N12C(C3(C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)Cc3c2cc(cc3)C)CCC1
• Title of publication: Aromatization-Driven Cascade [1,5]-Hydride Transfer/Spirocyclization Promoted by Fluorinated Alcohols.
• Authors of publication: Lv, Xintong; Hu, Fangzhi; Duan, Kang; Li, Shuai-Shuai; Liu, Qing; Xiao, Jian
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 4
• Pages of publication: 1833 - 1844
• a: 17.6979 ± 0.0007 Å
• b: 14.683 ± 0.0005 Å
• c: 18.0759 ± 0.0009 Å
• α: 90°
• β: 102.211 ± 0.004°
• γ: 90°
• Cell volume: 4590.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0859
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.182
• Weighted residual factors for all reflections included in the refinement: 0.1988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No