Information card for entry 4515672

Structure parameters

• Formula: C27 H22 N2 O3
• Calculated formula: C27 H22 N2 O3
• SMILES: O=C(Nc1ccc2c3c(ccc(c13)CCC(=O)OCC)c1c2cccc1)c1ncccc1
• Title of publication: Rhodium(I)-Catalyzed C8-Alkylation of 1-Naphthylamide Derivatives with Alkenes through a Bidentate Picolinamide Chelation System
• Authors of publication: Rej, Supriya; Chatani, Naoto
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 7
• Pages of publication: 6699
• a: 14.2005 ± 0.0003 Å
• b: 10.38306 ± 0.00019 Å
• c: 28.0529 ± 0.0005 Å
• α: 90°
• β: 102.226 ± 0.0019°
• γ: 90°
• Cell volume: 4042.44 ± 0.14 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No