Information card for entry 1541912

Structure parameters

• Common name: JSP-20151214
• Formula: C20 H18 N2 O4
• Calculated formula: C20 H18 N2 O4
• SMILES: c1(ccc2c(c1)nn(c2C(=O)OCC)c1cc(ccc1)C(=O)C)C(=O)C
• Title of publication: Access to 3-Acyl-(2H)-indazoles via Rh(III)-Catalyzed C-H Addition and Cyclization of Azobenzenes with α-Keto Aldehydes.
• Authors of publication: Jeong, Taejoo; Han, Sang Hoon; Han, Sangil; Sharma, Satyasheel; Park, Jihye; Lee, Jong Suk; Kwak, Jong Hwan; Jung, Young Hoon; Kim, In Su
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 2
• Pages of publication: 232 - 235
• a: 7.852 ± 0.003 Å
• b: 8.191 ± 0.003 Å
• c: 15.597 ± 0.007 Å
• α: 92.81 ± 0.03°
• β: 103.81 ± 0.03°
• γ: 116.1 ± 0.02°
• Cell volume: 861 ± 0.6 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.1269
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.1972
• Weighted residual factors for all reflections included in the refinement: 0.2268
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No