Information card for entry 1555661

Structure parameters

• Formula: C31 H26 O
• Calculated formula: C31 H26 O
• Title of publication: Lewis Acid Catalyzed Cyclization of Propargylic Alcohols with 2-Vinylphenol.
• Authors of publication: Han, Ya-Ping; Song, Xian-Rong; Qiu, Yi-Feng; Li, Xue-Song; Zhang, Heng-Rui; Zhu, Xin-Yu; Liu, Xue-Yuan; Liang, Yong-Min
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 15
• Pages of publication: 3866 - 3869
• a: 11.2411 ± 0.0008 Å
• b: 11.9761 ± 0.0009 Å
• c: 19.9127 ± 0.0014 Å
• α: 100.2 ± 0.006°
• β: 94.644 ± 0.006°
• γ: 113.781 ± 0.007°
• Cell volume: 2379.6 ± 0.3 ų
• Cell temperature: 289.7 ± 0.8 K
• Ambient diffraction temperature: 289.7 ± 0.8 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1852
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.2031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No