Information card for entry 2241559

Structure parameters

• Chemical name: 2,5-Bis[(<i>S</i>)-(+)-(1,2,3,4-tetrahydro-1-naphthyl)imino]thiophene
• Formula: C26 H26 N2 S
• Calculated formula: C26 H26 N2 S
• SMILES: s1c(/C=N/[C@H]2CCCc3ccccc23)ccc1/C=N/[C@H]1CCCc2ccccc12
• 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: 5.9093 ± 0.0004 Å
• b: 7.6258 ± 0.0005 Å
• c: 12.657 ± 0.0008 Å
• α: 87.802 ± 0.005°
• β: 78.329 ± 0.005°
• γ: 87.427 ± 0.005°
• Cell volume: 557.76 ± 0.06 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0859
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes