Information card for entry 1511945

Structure parameters

• Formula: C17 H15 N O
• Calculated formula: C17 H15 N O
• SMILES: c12c(cccc1)n(cc2C(=O)c1ccc(cc1)C)C
• Title of publication: A Copper-Catalyzed Synthesis of 3-Aroylindoles via a sp(3) C-H Bond Activation Followed by C-C and C-O Bond Formation.
• Authors of publication: Gogoi, Anupal; Guin, Srimanta; Rout, Saroj Kumar; Patel, Bhisma K.
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 8
• Pages of publication: 1802 - 1805
• a: 11.1536 ± 0.0009 Å
• b: 7.27 ± 0.0006 Å
• c: 16.7473 ± 0.0014 Å
• α: 90°
• β: 101.08 ± 0.003°
• γ: 90°
• Cell volume: 1332.67 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No