Information card for entry 7153785

Structure parameters

• Chemical name: 4-(Diethylphosphino-borane)-1-([2.2]-paracyclophan-4-yl)-1H-1,2,3-triazole
• Formula: C22 H29 B N3 P
• Calculated formula: C22 H29 B N3 P
• SMILES: [P](c1cn(c2c3ccc(c2)CCc2ccc(cc2)CC3)nn1)(CC)(CC)[BH3]
• Title of publication: Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry.
• Authors of publication: Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 22
• Pages of publication: 3635 - 3640
• a: 11.0128 ± 0.0002 Å
• b: 7.8943 ± 0.0002 Å
• c: 24.9976 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2173.25 ± 0.08 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No