Information card for entry 7152080

Structure parameters

• Formula: C36 H31 F12 N3 O4 S2
• Calculated formula: C36 H31 F12 N3 O4 S2
• SMILES: S(=O)(=O)(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc2c3cc(cc(S(=O)(=O)Nc4cc(cc(c4)C(F)(F)F)C(F)(F)F)c3[nH]c12)C(C)(C)C)C(C)(C)C
• Title of publication: Sulfonamide carbazole receptors for anion recognition.
• Authors of publication: Fuentes de Arriba, Angel L.; Turiel, María G; Simón, Luis; Sanz, Francisca; Boyero, Juan F.; Muñiz, Francisco M; Morán, Joaquín R; Alcázar, Victoria
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 24
• Pages of publication: 8321 - 8327
• a: 25.4032 ± 0.0011 Å
• b: 25.5614 ± 0.0011 Å
• c: 23.8466 ± 0.0008 Å
• α: 90°
• β: 93.307 ± 0.003°
• γ: 90°
• Cell volume: 15458.8 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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 all reflections: 0.1601
• Residual factor for significantly intense reflections: 0.1261
• Weighted residual factors for significantly intense reflections: 0.3797
• Weighted residual factors for all reflections included in the refinement: 0.4047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No