Information card for entry 4031350

Structure parameters

• Formula: C21 H21 B F4 N2
• Calculated formula: C21 H21 B F4 N2
• SMILES: [N+]1(C)=C(/C(c2ccccc12)=C/c1c2c(n(c1C)C)cccc2)C.[B](F)(F)(F)[F-]
• Title of publication: Structure and Reactivity of Indolylmethylium Ions: Scope and Limitations in Synthetic Applications.
• Authors of publication: Follet, Elsa; Berionni, Guillaume; Mayer, Peter; Mayr, Herbert
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 17
• Pages of publication: 8643 - 8656
• a: 7.6174 ± 0.0004 Å
• b: 8.8763 ± 0.0005 Å
• c: 15.4323 ± 0.0007 Å
• α: 90°
• β: 117.703 ± 0.002°
• γ: 90°
• Cell volume: 923.83 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No