Information card for entry 7124167

Structure parameters

• Formula: C33 H33 N O2
• Calculated formula: C33 H33 N O2
• Title of publication: Phosphine-mediated sequential annulations of allenyl ketone and isocyanide: a bicyclization strategy to access furan-fused eight-membered ring and spirocycle
• Authors of publication: Li, Jian; Xue, Bingxiang; Su, Shikuan; Cui, Yongmei; Fei, Youwen; Jia, Xueshun; Fang, Jianhui
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 15.1969 ± 0.0012 Å
• b: 15.4461 ± 0.0017 Å
• c: 10.9974 ± 0.0011 Å
• α: 90°
• β: 95.41 ± 0.004°
• γ: 90°
• Cell volume: 2570 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1643
• Weighted residual factors for all reflections included in the refinement: 0.1748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No