Information card for entry 1505821

Structure parameters

• Formula: C17 H18 F12 N6 O8 S4
• Calculated formula: C17 H18 F12 N6 O8 S4
• SMILES: S(=O)(=O)(N=S([O-])(=O)C(F)(F)F)C(F)(F)F.S(=O)(=O)(N=S([O-])(=O)C(F)(F)F)C(F)(F)F.n12CC3(Cc2[n+](cc1)C)Cn1cc[n+](c1C3)C
• Title of publication: Design and synthesis of novel chiral spiro ionic liquids.
• Authors of publication: Patil, Mahesh L.; Rao, C. V. Laxman; Yonezawa, Kohji; Takizawa, Shinobu; Onitsuka, Kiyotaka; Sasai, Hiroaki
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 227 - 230
• a: 14.16 ± 0.01 Å
• b: 9.62 ± 0.01 Å
• c: 22.15 ± 0.01 Å
• α: 90°
• β: 92 ± 0.05°
• γ: 90°
• Cell volume: 3015 ± 4 ų
• Cell temperature: 293.2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.1796
• Goodness-of-fit parameter for all reflections included in the refinement: 2.037
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No