Information card for entry 7151830

Structure parameters

• Formula: C17 H17 N O2 S
• Calculated formula: C17 H17 N O2 S
• SMILES: S(=O)(=O)(n1c(cc2cc(ccc12)C)c1ccc(cc1)C)C
• Title of publication: Sequential coupling/desilylation-coupling/cyclization in a single pot under Pd/C-Cu catalysis: synthesis of 2-(hetero)aryl indoles.
• Authors of publication: Rao, R. Mohan; Reddy, Upendar C. H.; Alinakhi,; Mulakayala, Naveen; Alvala, Mallika; Arunasree, M. K.; Poondra, Rajamohan R.; Iqbal, Javed; Pal, Manojit
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 10
• Pages of publication: 3808 - 3816
• a: 5.805 ± 0.004 Å
• b: 10.234 ± 0.006 Å
• c: 13.495 ± 0.008 Å
• α: 69.524 ± 0.007°
• β: 88.465 ± 0.014°
• γ: 89.34 ± 0.013°
• Cell volume: 750.8 ± 0.8 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No