Information card for entry 7112472

Structure parameters

• Formula: C23 H22 O
• Calculated formula: C23 H22 O
• 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: 5.985 ± 0.002 Å
• b: 9.373 ± 0.004 Å
• c: 16.021 ± 0.006 Å
• α: 80.467 ± 0.008°
• β: 88.504 ± 0.008°
• γ: 77.301 ± 0.008°
• Cell volume: 864.6 ± 0.6 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: 0.0917
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.1757
• Weighted residual factors for all reflections included in the refinement: 0.1933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No