Information card for entry 7108280

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.N1(C=[N+](CC1(c1ccccc1)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: 10.433 ± 0.004 Å
• b: 17.32 ± 0.007 Å
• c: 19.236 ± 0.008 Å
• α: 66.656 ± 0.005°
• β: 84.785 ± 0.005°
• γ: 88.956 ± 0.005°
• Cell volume: 3178 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0945
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.2017
• Weighted residual factors for all reflections included in the refinement: 0.2275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No