Information card for entry 4065201

Structure parameters

• Formula: C48 H10 B Cl4 F30 P
• Calculated formula: C48 H10 B Cl4 F30 P
• Title of publication: Frustrated Lewis Pair Reactions With Bis-Acetylenic Substrates: Exploring the Narrow Gap Separating Very Different Competing Reaction Pathways
• Authors of publication: Liedtke, René; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 19
• Pages of publication: 5222
• a: 17.3309 ± 0.0009 Å
• b: 16.4872 ± 0.0006 Å
• c: 17.3411 ± 0.0008 Å
• α: 90°
• β: 101.001 ± 0.002°
• γ: 90°
• Cell volume: 4864 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1294
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1769
• Weighted residual factors for all reflections included in the refinement: 0.2199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No