Information card for entry 1502240

Structure parameters

• Formula: C19 H17 N O2 S
• Calculated formula: C19 H17 N O2 S
• SMILES: S(=O)(=O)(N1CCc2c1cc1c(c2)cccc1)c1ccc(cc1)C
• Title of publication: An efficient approach to fused indolines via a copper(I)-catalyzed reaction of sulfonyl azide with 2-ethynylaryl methylenecyclopropane.
• Authors of publication: Li, Shaoyu; Luo, Yong; Wu, Jie
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 12
• Pages of publication: 3190 - 3193
• a: 14.78 ± 0.005 Å
• b: 17.617 ± 0.006 Å
• c: 6.08 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1583.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.1533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No