Information card for entry 2217342

Structure parameters

• Chemical name: Bis(1-tosyl-2-pyrrolyl)ethyne
• Formula: C24 H20 N2 O4 S2
• Calculated formula: C24 H20 N2 O4 S2
• SMILES: Cc1ccc(cc1)S(=O)(=O)n1cccc1C#Cc1cccn1S(=O)(=O)c1ccc(cc1)C
• Title of publication: Bis(1-tosyl-2-pyrrolyl)ethyne
• Authors of publication: Tanui, Hillary K.; Fronczek, Frank R.; Vicente, M. Graça H.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o130 - o130
• a: 8.5127 ± 0.0015 Å
• b: 16.822 ± 0.002 Å
• c: 7.5311 ± 0.0011 Å
• α: 90°
• β: 101.049 ± 0.007°
• γ: 90°
• Cell volume: 1058.5 ± 0.3 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes