Information card for entry 1505411

Structure parameters

• Common name: 05070
• Formula: C18 H15 N O3
• Calculated formula: C18 H15 N O3
• SMILES: O=C1OC[C@H](N1c1oc2c(c1)c(ccc2)C)c1ccccc1
• Title of publication: A rhodium(I)-catalyzed demethylation-cyclization of o-anisole-substituted ynamides in the synthesis of chiral 2-amido benzofurans.
• Authors of publication: Oppenheimer, Jossian; Johnson, Whitney L.; Tracey, Michael R.; Hsung, Richard P.; Yao, Pei-Yuan; Liu, Renhe; Zhao, Kang
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 12
• Pages of publication: 2361 - 2364
• a: 9.46 ± 0.0018 Å
• b: 6.0405 ± 0.0012 Å
• c: 13.586 ± 0.003 Å
• α: 90°
• β: 108.872 ± 0.003°
• γ: 90°
• Cell volume: 734.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No