Information card for entry 7115560

Structure parameters

• Formula: C19 H17 N O
• Calculated formula: C19 H17 N O
• SMILES: c12c(c3CCCn3c1cccc2)C(=O)c1ccc(cc1)C
• Title of publication: A metal free domino synthesis of 3-aroylindoles via two sp3 C-H activation
• Authors of publication: Anupal Gogoi; Anju Modi; Srimanta Guin; Saroj Kumar Rout; Debapratim Das; Bhisma K. Patel
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 10445
• a: 7.5607 ± 0.0004 Å
• b: 9.6755 ± 0.0006 Å
• c: 11.352 ± 0.001 Å
• α: 107.554 ± 0.005°
• β: 102.789 ± 0.005°
• γ: 103.85 ± 0.004°
• Cell volume: 729.07 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0634
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1733
• Weighted residual factors for all reflections included in the refinement: 0.1981
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No