Information card for entry 7154146

Structure parameters

• Formula: C35 H27 N3 O2 S
• Calculated formula: C35 H27 N3 O2 S
• SMILES: S(=O)(=O)(N=n1cc2c([nH]c3c2cccc3)c(c1Cc1ccccc1)c1c2c(ccc1)cccc2)c1ccc(cc1)C
• Title of publication: Silver(i)-catalyzed annulation for the regioselective synthesis of N-imino-γ-carbolinium ylides from hydrazones of indole-3-carbonyl derivatives and propargylic alcohols.
• Authors of publication: Zhu, Yu; Shen, Xin-Rui; Tang, Hai-Tao; Lin, Min; Zhan, Zhuang-Ping
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 47
• Pages of publication: 9514 - 9518
• a: 10.2471 ± 0.0005 Å
• b: 15.4948 ± 0.0008 Å
• c: 17.7996 ± 0.0009 Å
• α: 90°
• β: 105.211 ± 0.005°
• γ: 90°
• Cell volume: 2727.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0616
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No