Information card for entry 2208348

Structure parameters

• Common name: L-Histidinium tetrafluoroborate
• Chemical name: L-Histidinium tetrafluoroborate ?
• Formula: C6 H10 B F4 N3 O2
• Calculated formula: C6 H10 B F4 N3 O2
• SMILES: c1[nH]cc(C[C@H](C(=O)[O-])[NH3+])[nH+]1.[B](F)(F)(F)[F-]
• Title of publication: <small>L</small>-Histidinium tetrafluoroborate
• Authors of publication: S. Gokul Raj; G. Ramesh Kumar; Thenneti Raghavalu; R. Mohan; R. Jayavel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o1178 - o1180
• a: 5.0259 ± 0.0008 Å
• b: 9.089 ± 0.002 Å
• c: 10.218 ± 0.002 Å
• α: 90°
• β: 93.482 ± 0.015°
• γ: 90°
• Cell volume: 465.9 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0253
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes