Information card for entry 1503093

Structure parameters

• Formula: C26 H24 O
• Calculated formula: C26 H24 O
• SMILES: O1C=C[C@@]2([C@H]([C@H]1CCc1ccccc1)[C@H]2c1ccccc1)c1ccccc1
• Title of publication: Gold catalyzed diastereoselective cascade allylation/enyne cycloisomerization to construct densely functionalized oxygen heterocycles.
• Authors of publication: Chen, Zili; Zhang, Yu-Xin; Wang, Ya-Hui; Zhu, Li-Li; Liu, Heng; Li, Xiao-Xiao; Guo, Lin
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 15
• Pages of publication: 3468 - 3471
• a: 12.393 ± 0.003 Å
• b: 5.8186 ± 0.0012 Å
• c: 14.691 ± 0.003 Å
• α: 90°
• β: 111.21 ± 0.03°
• γ: 90°
• Cell volume: 987.6 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No