Information card for entry 7157209

Structure parameters

• Formula: C19 H22 N2 O3 S
• Calculated formula: C19 H22 N2 O3 S
• Title of publication: One-step assembly of alkoxypyrroloindolines via iodine-catalyzed alkoxycyclization of indole derivatives.
• Authors of publication: Li, Yan; Guo, Juan; Lu, Xunbo; Zhong, Fangrui
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 18
• Journal issue: 1
• Pages of publication: 32 - 35
• a: 19.181 ± 0.006 Å
• b: 7.746 ± 0.003 Å
• c: 12.126 ± 0.004 Å
• α: 90°
• β: 91.846 ± 0.008°
• γ: 90°
• Cell volume: 1800.7 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1509
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.1827
• Weighted residual factors for all reflections included in the refinement: 0.2228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No