Information card for entry 1517202

Structure parameters

• Formula: C18 H24 Cl N O2
• Calculated formula: C18 H24 Cl N O2
• SMILES: O[C@H](COc1cccc2c1cccc2)C[NH+]1CCCCC1.[Cl-]
• Title of publication: N-Fluorobenzenaminium tetrafluoroborate generated in situ by aniline and Selectfluor as a reusable catalyst for the ring opening of epoxides with amines under microwave irradiation
• Authors of publication: Chauhan, ManMohan Singh; Yadav, Geeta Devi; Hussain, Firasat; Singh, Surendra
• Journal of publication: Catal. Sci. Technol.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 11
• Pages of publication: 3945
• a: 8.117 ± 0.005 Å
• b: 7.669 ± 0.005 Å
• c: 28.305 ± 0.005 Å
• α: 90°
• β: 94.859 ± 0.005°
• γ: 90°
• Cell volume: 1755.6 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1054
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No