Information card for entry 2241561

Structure parameters

• Chemical name: 2,5-Bis{[(<i>R</i>)-(-)-1-(4-fluorophenyl)ethyl]iminomethyl}thiophene
• Formula: C22 H20 F2 N2 S
• Calculated formula: C22 H20 F2 N2 S
• SMILES: C(=N\[C@H](C)c1ccc(F)cc1)/c1ccc(s1)/C=N/[C@H](C)c1ccc(F)cc1
• Title of publication: Crystal structures of four chiral imine-substituted thiophene derivatives
• Authors of publication: Hernández-Téllez, Guadalupe; Bernès, Sylvain; Mendoza, Angel; Ríos-Merino, Francisco Javier; Moreno, Gloria E.; Portillo, Oscar; Gutiérrez, René
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 3
• Pages of publication: 350 - 354
• a: 21.1153 ± 0.0016 Å
• b: 7.7846 ± 0.0006 Å
• c: 6.1343 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1008.32 ± 0.14 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes