Information card for entry 7102643

Structure parameters

• Formula: C34 H54 F12 N4 P2
• Calculated formula: C34 H54 F12 N4 P2
• SMILES: [P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[N+]1([C@H](CN(C=1)c1ccccc1C(C)(C)C)C(C)C)C.[N+]1([C@H](CN(C=1)c1ccccc1C(C)(C)C)C(C)C)C
• Title of publication: Design and synthesis of imidazolinium salts derived from (L)-valine. Investigation of their potential in chiral molecular recognition
• Authors of publication: Clavier, Hervé; Boulanger, Loïse; Audic, Nicolas; Toupet, Loïc; Mauduit, Marc; Guillemin, Jean-Claude
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2004
• Journal issue: 10
• Pages of publication: 1224 - 1225
• a: 9.1683 ± 0.0002 Å
• b: 20.2115 ± 0.0007 Å
• c: 10.8752 ± 0.0003 Å
• α: 90°
• β: 101.599 ± 0.002°
• γ: 90°
• Cell volume: 1974.08 ± 0.1 ų
• Cell temperature: 120 ± 1 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: 0.1321
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.204
• Weighted residual factors for all reflections included in the refinement: 0.2449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No