Information card for entry 7226247

Structure parameters

• Formula: C27 H22 O3
• Calculated formula: C27 H22 O3
• SMILES: O1c2ccccc2C(c2c1cccc2)(c1ccc(OC)cc1)c1ccc(OC)cc1
• Title of publication: Palladium-Copper Catalyzed C(sp3)-C(sp2) Bond C-H Activation Cross-Coupling Reaction: Selective Arylation to Synthesis 9-Aryl-9H-Xanthene and 9,9-Diaryl-Xanthene Derivatives
• Authors of publication: Shen, Guodong; Zhao, Lingyu; Wang, Yichen; Xia, Wenfang; Yang, Minsen; Zhang, Tongxin
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 15.5095 ± 0.0011 Å
• b: 14.4666 ± 0.001 Å
• c: 18.4758 ± 0.0015 Å
• α: 90°
• β: 99.08 ± 0.007°
• γ: 90°
• Cell volume: 4093.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0735
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No