Information card for entry 7052784

Structure parameters

• Formula: C42 H26 Cl2 N2 S
• Calculated formula: C42 H26 Cl2 N2 S
• SMILES: Clc1ccc(c2nc3c(c(c4ccccc4)c2Sc2c(c4ccccc4)c4c(nc2c2ccc(Cl)cc2)cccc4)cccc3)cc1
• Title of publication: A green protocol for the synthesis of conformationally rigid sulfur linked bisquinolines by double Friedlander reaction in water
• Authors of publication: Paul, Nidhin; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 11
• Pages of publication: 2607
• a: 11.115 ± 0.005 Å
• b: 12.085 ± 0.005 Å
• c: 13.476 ± 0.005 Å
• α: 67.905 ± 0.005°
• β: 86.187 ± 0.005°
• γ: 73.358 ± 0.005°
• Cell volume: 1605.2 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0913
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1754
• Weighted residual factors for all reflections included in the refinement: 0.2521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No