Information card for entry 1503238

Structure parameters

• Formula: C23 H19 N O2
• Calculated formula: C23 H19 N O2
• SMILES: [nH]1c(c(c2c1cccc2)c1ccc(cc1)c1ccccc1)C(=O)OCC
• Title of publication: Synthesis of substituted indoles from 2-azidoacrylates and ortho-silyl aryltriflates.
• Authors of publication: Hong, Deng; Chen, Zhengbo; Lin, Xufeng; Wang, Yanguang
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 20
• Pages of publication: 4608 - 4611
• a: 7.881 ± 0.007 Å
• b: 9.856 ± 0.009 Å
• c: 12.446 ± 0.011 Å
• α: 101.219 ± 0.015°
• β: 90.086 ± 0.014°
• γ: 104.921 ± 0.015°
• Cell volume: 914.9 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1497
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No