Information card for entry 7128564

Structure parameters

• Formula: C16 H14 O3
• Calculated formula: C16 H14 O3
• SMILES: O1C(OC)(Cc2ccccc2)c2c(C1=O)cccc2
• Title of publication: Lactonization with concomitant 1,2-aryl migration and alkoxylation mediated by dialkoxyphenyl iodides generated <i>in situ</i>.
• Authors of publication: Zhang, Jingran; Jalil, Ayesha; He, Jiaxin; Yu, Zhenyang; Cheng, Yifu; Li, Guangchen; Du, Yunfei; Zhao, Kang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 60
• Pages of publication: 7426 - 7429
• a: 16.7429 ± 0.0001 Å
• b: 10.5512 ± 0.0001 Å
• c: 14.6971 ± 0.0001 Å
• α: 90°
• β: 93.247 ± 0.001°
• γ: 90°
• Cell volume: 2592.19 ± 0.03 ų
• Cell temperature: 99.97 ± 0.11 K
• Ambient diffraction temperature: 99.97 ± 0.11 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: 0.035
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No