Information card for entry 7105563

Structure parameters

• Formula: C44 H19 B F21 O P
• Calculated formula: C44 H19 B F21 O 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: 9.7019 ± 0.0009 Å
• b: 20.589 ± 0.0013 Å
• c: 20.7265 ± 0.001 Å
• α: 90°
• β: 97.341 ± 0.003°
• γ: 90°
• Cell volume: 4106.2 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1073
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1741
• Weighted residual factors for all reflections included in the refinement: 0.2063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No