Information card for entry 7239029

Structure parameters

• Chemical name: 5-(5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)thiophen-2-yl acetate
• Formula: C15 H13 N O3 S
• Calculated formula: C15 H13 N O3 S
• Title of publication: Pd-catalyzed site selective C‒H acetoxylation of aryl/heteroaryl/thiophenyl tethered dihydroquinolinones
• Authors of publication: Patpi, Santhosh Reddy; Sridhar, Balasubramanian; Tadikamalla, Prabhakar Rao; Kantevari, Srinivas
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 26
• Pages of publication: 10251
• a: 12.5933 ± 0.0011 Å
• b: 15.1264 ± 0.0013 Å
• c: 15.0649 ± 0.0013 Å
• α: 90°
• β: 111.798 ± 0.001°
• γ: 90°
• Cell volume: 2664.5 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0674
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1625
• Weighted residual factors for all reflections included in the refinement: 0.174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No