Information card for entry 1555925

Structure parameters

• Formula: C27 H20 F O P
• Calculated formula: C27 H20 F O P
• SMILES: P(=O)(C(=C=Cc1ccccc1)c1ccc(F)cc1)(c1ccccc1)c1ccccc1
• Title of publication: Copper-Catalyzed Direct Coupling of Unprotected Propargylic Alcohols with P(O)H Compounds: Access to Allenylphosphoryl Compounds under Ligand- and Base-Free Conditions.
• Authors of publication: Hu, Gaobo; Shan, Changkai; Chen, Weizhu; Xu, Pengxiang; Gao, Yuxing; Zhao, Yufen
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 23
• Pages of publication: 6066 - 6069
• a: 11.104 ± 0.004 Å
• b: 9.075 ± 0.003 Å
• c: 27.414 ± 0.01 Å
• α: 90°
• β: 91.04 ± 0.006°
• γ: 90°
• Cell volume: 2762 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0985
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.1998
• Weighted residual factors for all reflections included in the refinement: 0.2094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No