Information card for entry 7121676

Structure parameters

• Formula: C47 H36 B F10 P
• Calculated formula: C47 H36 B F10 P
• Title of publication: Selective formation of heterocyclic trans-cycloalkenes by alkyne addition to a biphenylene-based phosphane/borane frustrated Lewis pair.
• Authors of publication: Li, Jun; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 49
• Pages of publication: 6344 - 6347
• a: 13.0923 ± 0.0002 Å
• b: 11.9735 ± 0.0002 Å
• c: 24.9266 ± 0.0005 Å
• α: 90°
• β: 98.327 ± 0.001°
• γ: 90°
• Cell volume: 3866.32 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0868
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No