Information card for entry 7702023

Structure parameters

• Formula: C27 H19 B F15 N
• Calculated formula: C27 H19 B F15 N
• 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: 10.2625 ± 0.0004 Å
• b: 18.4212 ± 0.0007 Å
• c: 14.2535 ± 0.0005 Å
• α: 90°
• β: 100.91 ± 0.002°
• γ: 90°
• Cell volume: 2645.89 ± 0.17 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150.01 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0542
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No