Information card for entry 7702024

Structure parameters

• Formula: C28.5 H21 B Cl F15 N O
• Calculated formula: C28.5 H21 B Cl F15 N O
• Title of publication: B(C6F5)3 mediated arene hydrogenation/transannulation of para-methoxyanilines.
• Authors of publication: Longobardi, Lauren E.; Mahdi, Tayseer; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 16
• Pages of publication: 7114 - 7117
• a: 17.75 ± 0.005 Å
• b: 16.032 ± 0.004 Å
• c: 20.783 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5914 ± 3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 149.7 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1134
• Residual factor for significantly intense reflections: 0.0811
• Weighted residual factors for significantly intense reflections: 0.23
• Weighted residual factors for all reflections included in the refinement: 0.2505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0628
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No