Information card for entry 7118919

Structure parameters

• Formula: C18 H16 B F2 N O
• Calculated formula: C18 H16 B F2 N O
• SMILES: c12c(cccc1)[N]1=C(c3c(cccc3)O[B]1(F)F)C2(C)CC=C
• Title of publication: Synthesis of benzofuro[3,2-b]indoline amines via deamination-interrupted Fischer indolization and their unexpected reactivity towards nucleophiles.
• Authors of publication: Tomakinian, Terry; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 31
• Pages of publication: 5443 - 5446
• a: 13.5204 ± 0.0007 Å
• b: 12.9163 ± 0.0007 Å
• c: 17.273 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3016.4 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1805
• Weighted residual factors for all reflections included in the refinement: 0.1892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No