Information card for entry 1545234

Structure parameters

• Formula: C24 H22 N4 O2 S
• Calculated formula: C24 H22 N4 O2 S
• SMILES: S(=O)(=O)(n1nnc(c1NC(c1ccccc1)=C)c1ccc(cc1)C)c1ccc(C)cc1
• Title of publication: One-Pot Three-Component Synthesis of Enamine-Functionalized 1,2,3-Triazoles via Cu-Catalytic Azide-Alkyne Click (CuAAC) and Cu-Catalyzed Vinyl Nitrene Transfer Sequence.
• Authors of publication: Zhou, Wei; Zhang, Min; Li, Hanhui; Chen, Wanzhi
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 1
• Pages of publication: 10 - 13
• a: 7.1962 ± 0.0005 Å
• b: 9.4529 ± 0.0007 Å
• c: 16.5643 ± 0.0012 Å
• α: 99.095 ± 0.006°
• β: 99.786 ± 0.006°
• γ: 91.947 ± 0.006°
• Cell volume: 1094.28 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0829
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1588
• Weighted residual factors for all reflections included in the refinement: 0.1804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No