Information card for entry 4022282

Structure parameters

• Chemical name: triethylammonium 1H-indol-1-yltris(pentafluorophenyl)borate
• Formula: C32 H22 B F15 N2
• Calculated formula: C26 H6 B F15 N
• SMILES: n1(ccc2ccccc12)[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Synthesis and Reactivity of (C~6~F~5~)~3~B-N-Heterocycle Complexes. 1. Generation of Highly Acidic sp^3^ Carbons in Pyrroles and Indoles
• Authors of publication: Simona Guidotti; Isabella Camurati; Francesca Focante; Luca Angellini; Gilberto Moscardi; Luigi Resconi; Rino Leardini; Daniele Nanni; Pierluigi Mercandelli; Angelo Sironi; Tiziana Beringhelli; Daniela Maggioni
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2003
• Journal volume: 68
• Pages of publication: 5445 - 5465
• a: 12.058 ± 0.005 Å
• b: 18.061 ± 0.008 Å
• c: 14.683 ± 0.007 Å
• α: 90°
• β: 93.76 ± 0.01°
• γ: 90°
• Cell volume: 3191 ± 2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1235
• Goodness-of-fit parameter for significantly intense reflections: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No