Information card for entry 7229603

Structure parameters

• Formula: C21 H15 F15 N2 S3
• Calculated formula: C21 H15 F15 N2 S3
• SMILES: S(F)(F)(F)(F)(F)c1ccc(C2N[C@@H](c3ccc(S(F)(F)(F)(F)F)cc3)[C@H](N=2)c2ccc(S(F)(F)(F)(F)F)cc2)cc1
• Title of publication: Environmentally benign and diastereoselective synthesis of 2,4,5-trisubstituted-2-imidazolines
• Authors of publication: Le Phuong, Hai Anh; Cseri, Levente; Whitehead, George F. S.; Garforth, Arthur; Budd, Peter; Szekely, Gyorgy
• Journal of publication: RSC Advances
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 84
• Pages of publication: 53278
• a: 12.2146 ± 0.0002 Å
• b: 9.99845 ± 0.00016 Å
• c: 20.3665 ± 0.0003 Å
• α: 90°
• β: 91.4162 ± 0.0015°
• γ: 90°
• Cell volume: 2486.54 ± 0.07 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0426
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No