Information card for entry 7112176

Structure parameters

• Formula: C24 H23 N O2 S
• Calculated formula: C24 H23 N O2 S
• SMILES: S(=O)(=O)(N1CCc2c(c(ccc12)C)C(=C)c1ccccc1)c1ccc(cc1)C
• Title of publication: Synthesis of polycyclic substituted vinylarenes via a one-pot intramolecular aryl alkylation-N-tosylhydrazone insertion reaction
• Authors of publication: Xin-Xing Wu; Ping-Xin Zhou; Li-Jing Wang; Peng-Fei Xu; Yong-Min Liang
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 3882
• a: 11.9663 ± 0.0006 Å
• b: 8.2591 ± 0.0004 Å
• c: 20.6407 ± 0.001 Å
• α: 90°
• β: 96.402 ± 0.005°
• γ: 90°
• Cell volume: 2027.22 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No