Information card for entry 2205584

Structure parameters

• Chemical name: O-(2,3,4,5,6-Pentafluorobenzyl)hydroxylaminium chloride
• Formula: C7 H5 Cl F5 N O
• Calculated formula: C7 H5 Cl F5 N O
• SMILES: [Cl-].[NH3+]OCc1c(F)c(F)c(F)c(F)c1F
• Title of publication: <i>O</i>-(2,3,4,5,6-Pentafluorobenzyl)hydroxylaminium chloride
• Authors of publication: Maria Gdaniec
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o1187 - o1189
• a: 19.994 ± 0.003 Å
• b: 5.402 ± 0.0008 Å
• c: 9.0305 ± 0.0015 Å
• α: 90°
• β: 99.939 ± 0.013°
• γ: 90°
• Cell volume: 960.7 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• 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: 0.0757
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 0.897
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes