Information card for entry 7201477

Structure parameters

• Formula: C18 H16 F N O2 S2
• Calculated formula: C18 H16 F N O2 S2
• SMILES: Cc1ccc(cc1)S(=O)(=O)Cc1c(c2ccc(cc2)F)sc(C)n1
• Title of publication: An efficient aqueous microwave-assisted Suzuki‒Miyaura cross-coupling reaction in the thiazole series
• Authors of publication: Cohen, Anita; Crozet, Maxime D.; Rathelot, Pascal; Vanelle, Patrice
• Journal of publication: Green Chemistry
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 11
• Pages of publication: 1736
• a: 8.133 ± 0.0002 Å
• b: 10.9315 ± 0.0003 Å
• c: 11.3491 ± 0.0004 Å
• α: 111.001 ± 0.001°
• β: 103.328 ± 0.002°
• γ: 103.603 ± 0.003°
• Cell volume: 858.68 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1008
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.2084
• Weighted residual factors for all reflections included in the refinement: 0.2201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No