Information card for entry 1547783

Structure parameters

• Formula: C27 H29 N3 O4 S2
• Calculated formula: C27 H29 N3 O4 S2
• SMILES: S(=O)(=O)(/C=C/1CN(S(=O)(=O)c2ccc(cc2)C)C[C@@H]1C(/N=N/c1ccccc1)(C)C)c1ccccc1
• Title of publication: Synthesis of Tetrahydropyridine Derivatives through a Reaction of 1,6-Enynes, Sulfur Dioxide, and Aryldiazonium Tetrafluoroborates.
• Authors of publication: An, Yuanyuan; Wu, Jie
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 21
• Pages of publication: 6028 - 6031
• a: 7.9678 ± 0.0018 Å
• b: 10.943 ± 0.003 Å
• c: 15.044 ± 0.004 Å
• α: 90°
• β: 95.755 ± 0.004°
• γ: 90°
• Cell volume: 1305.1 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0867
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No