Information card for entry 7020967

Structure parameters

• Formula: C45 H39 B F10 N P
• Calculated formula: C45 H39 B F10 N P
• SMILES: c1(ccccc1)[N]1[B](c2c(c(c(c(c2F)F)F)F)F)(c2c(c(c(c(c2F)F)F)F)F)[C@@H]([C@@H](c2ccccc2)P=1(C(C)C)C(C)C)c1ccccc1.Cc1ccccc1.c1(ccccc1)[N]1[B](c2c(c(c(c(c2F)F)F)F)F)(c2c(c(c(c(c2F)F)F)F)F)[C@H]([C@H](c2ccccc2)P=1(C(C)C)C(C)C)c1ccccc1.Cc1ccccc1
• Title of publication: Hydrophosphination of vinyl-boranes with phosphinoamines
• Authors of publication: Jiang, Chunfang; Stephan, Douglas W.
• Journal of publication: Dalton Transactions
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 10
• Pages of publication: 3318
• a: 19.5503 ± 0.0016 Å
• b: 11.7262 ± 0.0008 Å
• c: 33.928 ± 0.003 Å
• α: 90°
• β: 97.717 ± 0.003°
• γ: 90°
• Cell volume: 7707.6 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1132
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No