Information card for entry 1516176

Structure parameters

• Formula: C14 H16 N2 O3
• Calculated formula: C14 H16 N2 O3
• SMILES: n1c2C(=O)N(/C(=C/C(=O)OCCCC)c2ccc1)C
• Title of publication: Rh(III)-Catalyzed Cascade Oxidative Olefination/Cyclization of Picolinamides and Alkenes via C-H Activation.
• Authors of publication: Cai, Shangjun; Chen, Chao; Shao, Peng; Xi, Chanjuan
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 11
• Pages of publication: 3142 - 3145
• a: 7.5875 ± 0.0015 Å
• b: 21.568 ± 0.004 Å
• c: 8.3245 ± 0.0017 Å
• α: 90°
• β: 110.26 ± 0.03°
• γ: 90°
• Cell volume: 1278 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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 significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No