Information card for entry 4067202

Structure parameters

• Formula: C38 H48 B P
• Calculated formula: C38 H48 B P
• SMILES: [PH+](C(C)(C)C)(C(C)(C)C)C(C)(C)C.C(#C[B-](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Deprotonation and Addition Reactions of Frustrated Lewis Pairs with Alkynes
• Authors of publication: Dureen, Meghan A.; Brown, Christopher C.; Stephan, Douglas W.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 23
• Pages of publication: 6594
• a: 12.311 ± 0.0011 Å
• b: 13.8672 ± 0.0013 Å
• c: 19.2209 ± 0.0016 Å
• α: 90°
• β: 103.184 ± 0.005°
• γ: 90°
• Cell volume: 3194.9 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0875
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No