Information card for entry 2234671

Structure parameters

• Chemical name: Potassium [1-(<i>tert</i>-butoxycarbonyl)-1<i>H</i>-indol-3-yl]trifluoroborate hemihydrate
• Formula: C13 H15 B F3 K N O2.5
• Calculated formula: C13 H15 B F3 K N O2.5
• Title of publication: Potassium [1-(<i>tert</i>-butoxycarbonyl)-1<i>H</i>-indol-3-yl]trifluoroborate hemihydrate
• Authors of publication: Berionni, Guillaume; Mayer, Peter; Mayr, Herbert
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m551 - m552
• a: 5.8428 ± 0.0001 Å
• b: 16.3177 ± 0.0002 Å
• c: 32.1286 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3063.17 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes