Information card for entry 1547782

Structure parameters

• Formula: C33 H31 Cl2 N3 O4 S2
• Calculated formula: C33 H31 Cl2 N3 O4 S2
• SMILES: S(=O)(=O)(C1=C(C(CN(S(=O)(=O)c2ccc(cc2)C)C1)C(/N=N/c1ccc(Cl)cc1)(C)C)c1ccccc1)c1ccc(Cl)cc1
• 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: 9.974 ± 0.003 Å
• b: 14.056 ± 0.004 Å
• c: 14.062 ± 0.004 Å
• α: 83.992 ± 0.005°
• β: 88.531 ± 0.005°
• γ: 73.514 ± 0.005°
• Cell volume: 1880 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1005
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.2033
• Weighted residual factors for all reflections included in the refinement: 0.2365
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No