Information card for entry 7107080

Structure parameters

• Formula: C29 H33 F3 N2 O3 S
• Calculated formula: C29 H33 F3 N2 O3 S
• SMILES: S(=O)(=O)([O-])C(F)(F)F.[N+]1(=CN([C@H](C1)c1ccccc1)c1c(cccc1)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: A facile preparation of backbone-substituted, functionalized and chiral imidazolinium salts
• Authors of publication: Jun Zhang; Xiaolong Su; Jun Fu; Min Shi
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 12541
• a: 8.521 ± 0.003 Å
• b: 14.946 ± 0.006 Å
• c: 22.415 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2854.7 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1151
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.1995
• Weighted residual factors for all reflections included in the refinement: 0.2232
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No