Information card for entry 4101571

Structure parameters

• Formula: C23 H17 Cl O2
• Calculated formula: C23 H17 Cl O2
• SMILES: Clc1c(C2(OC(=O)C(=C2c2ccccc2)c2ccccc2)C)cccc1
• Title of publication: Cleavage of a carbon-carbon triple bond via gold-catalyzed cascade cyclization/oxidative cleavage reactions of (Z)-enynols with molecular oxygen.
• Authors of publication: Liu, Yuanhong; Song, Feijie; Guo, Shenghai
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 35
• Pages of publication: 11332 - 11333
• a: 10.232 ± 0.019 Å
• b: 14.05 ± 0.03 Å
• c: 14.11 ± 0.03 Å
• α: 106.28 ± 0.03°
• β: 96.25 ± 0.04°
• γ: 91.27 ± 0.04°
• Cell volume: 1932 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1429
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1587
• Weighted residual factors for all reflections included in the refinement: 0.1804
• Goodness-of-fit parameter for all reflections included in the refinement: 0.764
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No