Information card for entry 1553619

Structure parameters

• Formula: C21 H17 F O
• Calculated formula: C21 H17 F O
• SMILES: Fc1ccc([C@H]2[C@@H](c3cc4c(cccc4)c4OCCc34)C2)cc1.Fc1ccc([C@@H]2[C@H](c3cc4c(cccc4)c4OCCc34)C2)cc1
• Title of publication: An efficient approach to generate aryl carbenes: gold-catalyzed sequential activation of 1,6-diynes
• Authors of publication: Cao, Tongxiang; Chen, Kai; Zhu, Shifa
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 3
• Pages of publication: 450
• a: 13.585 ± 0.004 Å
• b: 12.569 ± 0.003 Å
• c: 9.741 ± 0.003 Å
• α: 90°
• β: 106.741 ± 0.006°
• γ: 90°
• Cell volume: 1592.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1216
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1552
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No