Information card for entry 7105564

Structure parameters

• Formula: C47.5 H32 B Cl F15 P
• Calculated formula: C47.5 H32 B Cl F15 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: 12.3976 ± 0.0005 Å
• b: 13.8705 ± 0.0004 Å
• c: 15.1225 ± 0.0006 Å
• α: 108.59 ± 0.001°
• β: 99.318 ± 0.002°
• γ: 112.299 ± 0.002°
• Cell volume: 2158.57 ± 0.15 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No