Information card for entry 7030727

Structure parameters

• Formula: C40 H41 B F15 O P
• Calculated formula: C40 H41 B F15 O P
• SMILES: [P+](CCCCO[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(C1CCCCC1)(C1CCCCC1)C1CCCCC1
• Title of publication: Reactions of phosphines with electron deficient boranes
• Authors of publication: Welch, Gregory C.; Prieto, Roberto; Dureen, Meghan A.; Lough, Alan J.; Labeodan, Oijsamola A.; Höltrichter-Rössmann, Thorsten; Stephan, Douglas W.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 9
• Pages of publication: 1559 - 1570
• a: 12.267 ± 0.004 Å
• b: 13.076 ± 0.004 Å
• c: 24.449 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3922 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1208
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7000569
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No