Information card for entry 7106086

Structure parameters

• Formula: C25 H22 N2 O3 S
• Calculated formula: C25 H22 N2 O3 S
• SMILES: S(=O)(=O)(/N=C(c1c2ccccc2n(c1C)C)\C(=O)c1ccccc1)c1ccc(cc1)C
• Title of publication: Copper-cascade catalysis: synthesis of 3-functionalized indoles
• Authors of publication: Jing Wang; Jinjin Wang; Yuanxun Zhu; Ping Lu; Yan-Guang Wang
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 3275
• a: 7.3334 ± 0.0003 Å
• b: 17.1511 ± 0.0006 Å
• c: 17.5542 ± 0.0007 Å
• α: 90°
• β: 101.515 ± 0.004°
• γ: 90°
• Cell volume: 2163.46 ± 0.15 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: 0.0742
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No