Information card for entry 7108281

Structure parameters

• Formula: C34 H35 F3 N2 O3 S
• Calculated formula: C34 H35 F3 N2 O3 S
• SMILES: S(=O)(=O)([O-])C(F)(F)F.[N+]1(=CN([C@H]([C@H]1c1ccccc1)c1ccccc1)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Tailor-made synthesis of various backbone-substituted imidazolinium salts by triflic anhydride mediated intramolecular cyclisation
• Authors of publication: Jun Zhang; Xiaolong Su; Jun Fu; Xinke Qin; Meixin Zhao; Min Shi
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 9192
• a: 9.301 ± 0.004 Å
• b: 16.385 ± 0.008 Å
• c: 20.954 ± 0.01 Å
• α: 90°
• β: 101.758 ± 0.007°
• γ: 90°
• Cell volume: 3126 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1247
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1472
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No