Information card for entry 4086432

Structure parameters

• Formula: C19 H17 O4
• Calculated formula: C19 H17 O4
• SMILES: O=C1N(c2cc(OC)c(OC)cc2)C(=C)c2c1cc(OC)cc2
• Title of publication: Rhodium-Catalyzed Cyclocarbonylation of Ketimines via C‒H Bond Activation
• Authors of publication: Gao, Bao; Liu, Song; Lan, Yu; Huang, Hanmin
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 10
• Pages of publication: 1480
• a: 13.7169 ± 0.0015 Å
• b: 7.4369 ± 0.0009 Å
• c: 15.9131 ± 0.0019 Å
• α: 90°
• β: 108.119 ± 0.002°
• γ: 90°
• Cell volume: 1542.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No