Information card for entry 1504074

Structure parameters

• Formula: C33 H24 O
• Calculated formula: C33 H24 O
• SMILES: O=C(/C=C\c1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Gold-catalyzed cascade Friedel-Crafts/furan-alkyne cycloisomerizations for the highly efficient synthesis of arylated (Z)-enones or -enals.
• Authors of publication: Chen, Yifeng; Lu, Yuhua; Li, Guijie; Liu, Yuanhong
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 17
• Pages of publication: 3838 - 3841
• a: 10.4248 ± 0.0011 Å
• b: 11.0694 ± 0.0012 Å
• c: 20.658 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2383.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No