Information card for entry 1502417

Structure parameters

• Chemical name: ethyl 5-methoxy-4-(4-methoxybenzamido)pentanoate
• Formula: C16 H23 N O5
• Calculated formula: C16 H23 N O5
• SMILES: O(CC)C(=O)CCC(NC(=O)c1ccc(OC)cc1)COC
• Title of publication: Pd-catalyzed C4-olefination of oxazoles via C-H bond activation: divergent synthesis of functionalized amino alcohol and amino acid derivatives.
• Authors of publication: Cui, Sunliang; Wojtas, Lukasz; Antilla, Jon C.
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 19
• Pages of publication: 5040 - 5043
• a: 14.7468 ± 0.0005 Å
• b: 5.0698 ± 0.0002 Å
• c: 21.3719 ± 0.0007 Å
• α: 90°
• β: 100.896 ± 0.002°
• γ: 90°
• Cell volume: 1569.03 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No