Information card for entry 1505930

Structure parameters

• Formula: C19 H27 N O3
• Calculated formula: C19 H27 N O3
• SMILES: c1(ccc2c(c1)cc(c(n2)CCCCC)CCCC)C(=O)O.O
• Title of publication: Solid-phase synthesis of oligo(p-benzamide) foldamers.
• Authors of publication: König, Hannah M; Abbel, Robert; Schollmeyer, Dieter; Kilbinger, Andreas F. M.
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 9
• Pages of publication: 1819 - 1822
• a: 10.6889 ± 0.0019 Å
• b: 7.5335 ± 0.0016 Å
• c: 22.998 ± 0.004 Å
• α: 90°
• β: 101.875 ± 0.009°
• γ: 90°
• Cell volume: 1812.3 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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 all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1565
• Weighted residual factors for all reflections included in the refinement: 0.1664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No