Information card for entry 7153236

Structure parameters

• Formula: C31 H32 N4 O5 S2
• Calculated formula: C31 H32 N4 O5 S2
• SMILES: Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1/C=N/CC(O)C/N=C/c1ccccc1NS(=O)(=O)c1ccc(cc1)C
• Title of publication: Sulfonamide-imines as selective fluorescent chemosensors for the fluoride anion.
• Authors of publication: López, Miguel Vázquez; Bermejo, Manuel R.; Vázquez, M Eugenio; Taglietti, Angelo; Zaragoza, Guillermo; Pedrido, Rosa; Martínez-Calvo, Miguel
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 357 - 362
• a: 26.5105 ± 0.0024 Å
• b: 8.1629 ± 0.0004 Å
• c: 27.3038 ± 0.0015 Å
• α: 90°
• β: 90.2 ± 0.002°
• γ: 90°
• Cell volume: 5908.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No