Information card for entry 4119934

Structure parameters

• Formula: C44 H38 B F10 O P
• Calculated formula: C44 H38 B F10 O P
• SMILES: [P+]1([C@H]2[C@H]3CC[C@@H]([C@@H]2[B](O[C@@H]1c1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)C3)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.[P+]1([C@@H]2[C@@H]3CC[C@H]([C@H]2[B](O[C@H]1c1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)C3)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Noninteracting, Vicinal Frustrated P/B-Lewis Pair at the Norbornane Framework: Synthesis, Characterization, and Reactions
• Authors of publication: Muhammad Sajid; Gerald Kehr; Thomas Wiegand; Hellmut Eckert; Christian Schwickert; Rainer Pöttgen; Allan Jay P. Cardenas; Timothy H. Warren; Roland Fröhlich; Constantin G. Daniliuc; Gerhard Erker
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 8882 - 8895
• a: 11.3261 ± 0.0002 Å
• b: 11.4019 ± 0.0002 Å
• c: 18.0739 ± 0.0004 Å
• α: 80.106 ± 0.004°
• β: 86.398 ± 0.007°
• γ: 67.178 ± 0.008°
• Cell volume: 2119.31 ± 0.15 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1918
• Weighted residual factors for all reflections included in the refinement: 0.1995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No