Information card for entry 1502181

Structure parameters

• Formula: C22 H16 O2
• Calculated formula: C22 H16 O2
• SMILES: o1c(=O)cc(cc1Cc1ccccc1)c1cc2ccccc2cc1
• Title of publication: Syntheses of α-pyrones using gold-catalyzed coupling reactions.
• Authors of publication: Luo, Tuoping; Dai, Mingji; Zheng, Shao-Liang; Schreiber, Stuart L.
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 11
• Pages of publication: 2834 - 2836
• a: 16.095 ± 0.002 Å
• b: 7.1088 ± 0.0009 Å
• c: 7.0468 ± 0.0009 Å
• α: 90°
• β: 102.5 ± 0.007°
• γ: 90°
• Cell volume: 787.16 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1608
• Weighted residual factors for all reflections included in the refinement: 0.1636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No