Information card for entry 7121681

Structure parameters

• Formula: C50 H34 B F10 P
• Calculated formula: C50 H34 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: 13.3724 ± 0.0003 Å
• b: 14.8949 ± 0.0003 Å
• c: 23.4627 ± 0.0005 Å
• α: 75.958 ± 0.001°
• β: 83.414 ± 0.001°
• γ: 65.374 ± 0.001°
• Cell volume: 4120.83 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No