Information card for entry 7153340

Structure parameters

• Formula: C24 H19 N S
• Calculated formula: C24 H19 N S
• SMILES: s1c(c2ccccc2)c(nc1c1ccccc1)C/C=C/c1ccccc1
• Title of publication: Facile one-pot synthesis of three different substituted thiazoles from propargylic alcohols.
• Authors of publication: Gao, Xun; Pan, Ying-ming; Lin, Min; Chen, Li; Zhan, Zhuang-ping
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 14
• Pages of publication: 3259 - 3266
• a: 17.699 ± 0.004 Å
• b: 74.502 ± 0.018 Å
• c: 5.7208 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7544 ± 3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.119
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.1786
• Weighted residual factors for all reflections included in the refinement: 0.2081
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No