Information card for entry 7112473

Structure parameters

• Formula: C22 H19 F
• Calculated formula: C22 H19 F
• SMILES: Fc1ccc(C(=C\c2ccc(cc2)C)\c2ccc(cc2)C)cc1
• Title of publication: Ambient arylmagnesiation of alkynes catalysed by ligandless nickel(ii).
• Authors of publication: Xue, Fei; Zhao, Jin; Hor, T. S. Andy
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 86
• Pages of publication: 10121 - 10123
• a: 9.3013 ± 0.0008 Å
• b: 10.3979 ± 0.0009 Å
• c: 17.359 ± 0.0015 Å
• α: 78.282 ± 0.001°
• β: 89.092 ± 0.002°
• γ: 88.732 ± 0.002°
• Cell volume: 1643.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No