Information card for entry 1520754

Structure parameters

• Formula: C23 H21 N O3 S2
• Calculated formula: C23 H21 N O3 S2
• Title of publication: Facile synthesis of 2,5-disubstituted thiazoles from terminal alkynes, sulfonyl azides, and thionoesters.
• Authors of publication: Miura, Tomoya; Funakoshi, Yuuta; Fujimoto, Yoshikazu; Nakahashi, Junki; Murakami, Masahiro
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 10
• Pages of publication: 2454 - 2457
• a: 7.667 ± 0.0006 Å
• b: 8.7269 ± 0.0006 Å
• c: 17.0497 ± 0.0013 Å
• α: 88.1161 ± 0.0018°
• β: 89.15 ± 0.002°
• γ: 62.1966 ± 0.0018°
• Cell volume: 1008.54 ± 0.13 ų
• Cell temperature: 108 ± 2 K
• Ambient diffraction temperature: 108 ± 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: 0.0862
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1743
• Weighted residual factors for all reflections included in the refinement: 0.1959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No