Information card for entry 1555037

Structure parameters

• Common name: SJY-002
• Formula: C17 H14 N2 O3
• Calculated formula: C17 H14 N2 O3
• SMILES: c12ccccc1c(c(=O)n(c1ccccc1)n2)C(=O)OCC
• Title of publication: Synthesis of Cinnolin-3(2H)-one Derivatives from Rh-Catalyzed Reaction of Azobenzenes with Diazotized Meldrum's Acid.
• Authors of publication: Son, Jeong-Yu; Kim, Sunghwa; Jeon, Woo Hyung; Lee, Phil Ho
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 10
• Pages of publication: 2518 - 2521
• a: 8.9224 ± 0.0002 Å
• b: 9.3813 ± 0.0002 Å
• c: 18.2533 ± 0.0004 Å
• α: 90°
• β: 103.064 ± 0.0012°
• γ: 90°
• Cell volume: 1488.32 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0899
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No