Information card for entry 7105565

Structure parameters

• Formula: C46 H23 B F21 P
• Calculated formula: C46 H23 B F21 P
• Title of publication: Remarkably variable reaction modes of frustrated Lewis pairs with non-conjugated terminal diacetylenes.
• Authors of publication: Chen, Chao; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 20
• Pages of publication: 3580 - 3582
• a: 10.9971 ± 0.0005 Å
• b: 11.132 ± 0.0005 Å
• c: 18.0736 ± 0.0007 Å
• α: 80.92 ± 0.002°
• β: 75.06 ± 0.002°
• γ: 75.741 ± 0.002°
• Cell volume: 2061.38 ± 0.16 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0643
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1433
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No