Information card for entry 7025855

Structure parameters

• Formula: C14 H12 O2
• Calculated formula: C14 H12 O2
• Title of publication: Synthesis of 2-acylfurans from 3-(1-alkynyl)-2-alken-1-ones via the oxidation of gold-carbene intermediates by H2O2.
• Authors of publication: Wang, Tao; Zhang, Junliang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 18
• Pages of publication: 4270 - 4273
• a: 11.4578 ± 0.0011 Å
• b: 10.3648 ± 0.0011 Å
• c: 19.93 ± 0.002 Å
• α: 90°
• β: 98.379 ± 0.003°
• γ: 90°
• Cell volume: 2341.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1761
• Weighted residual factors for all reflections included in the refinement: 0.19
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No