Information card for entry 2011465

Structure parameters

• Chemical name: (-)-(S)-2-(Fluorodiphenylmethyl)pyrrolidinium chloride
• Formula: C17 H19 Cl F N
• Calculated formula: C17 H19 Cl F N
• SMILES: [Cl-].FC([C@H]1[NH2+]CCC1)(c1ccccc1)c1ccccc1
• Title of publication: (‒)-(<i>S</i>)-2-(Fluorodiphenylmethyl)pyrrolidinium chloride
• Authors of publication: Batsanov, Andrei S.; Howard, Judith A. K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 10
• Pages of publication: e467 - e468
• a: 7.415 ± 0.003 Å
• b: 8.353 ± 0.004 Å
• c: 24.406 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1511.6 ± 1.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.029
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes