Information card for entry 7132594

Structure parameters

• Formula: C27 H30 N2 O3 S
• Calculated formula: C27 H30 N2 O3 S
• SMILES: S(=O)(=O)(/N=C(\N=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)c1ccccc1)c1ccccc1
• Title of publication: Olefin skeletal rearrangement enabling access to multiarylated <i>N</i>-sulfonyl amidines.
• Authors of publication: Cui, Chen-Chang; Lin, Feng; Wang, Lu-Yao; Liu, Yin-Ping; Tu, Shu-Jiang; Tu, Man-Su; Hao, Wen-Juan; Jiang, Bo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 11
• Pages of publication: 1492 - 1495
• a: 9.7941 ± 0.0009 Å
• b: 11.2385 ± 0.0011 Å
• c: 23.348 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2569.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0959
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1617
• Weighted residual factors for all reflections included in the refinement: 0.1919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No