Information card for entry 1503364

Structure parameters

• Formula: C15 H14 B F2 N5
• Calculated formula: C15 H14 B F2 N5
• SMILES: [B]1(F)(F)[n]2n(c(cc2C)C)c2nnc(N)c(c12)c1ccccc1
• Title of publication: Ambient temperature nitrogen-directed difluoroalkynylborane Carboni-Lindsey cycloaddition reactions.
• Authors of publication: Vivat, Jérôme F; Adams, Harry; Harrity, Joseph P. A.
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 160 - 163
• a: 13.8977 ± 0.001 Å
• b: 7.8695 ± 0.0007 Å
• c: 14.3962 ± 0.001 Å
• α: 90°
• β: 116.104 ± 0.005°
• γ: 90°
• Cell volume: 1413.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No