Information card for entry 7103305

Structure parameters

• Formula: C44 H52 N4 O8
• Calculated formula: C44 H52 N4 O8
• SMILES: C1(=O)CN(C(=O)CN(C(=O)CN(C(=O)CN1CCOCc1ccccc1)CCOCc1ccccc1)CCOCc1ccccc1)CCOCc1ccccc1
• Title of publication: Synthesis, structures, and properties of nine-, twelve-, and eighteen-membered N-benzyloxyethyl cyclic alpha-peptoids.
• Authors of publication: Maulucci, N; Izzo, I; Bifulco, G; Aliberti, A; De Cola, C; Comegna, D; Gaeta, C; Napolitano, A; Pizza, C; Tedesco, C; Flot, D; De Riccardis, F
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 33
• Pages of publication: 3927 - 3929
• a: 18.554 ± 0.003 Å
• b: 5.387 ± 0.002 Å
• c: 40.021 ± 0.005 Å
• α: 90°
• β: 98.171 ± 0.005°
• γ: 90°
• Cell volume: 3959.5 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0711
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1734
• Weighted residual factors for all reflections included in the refinement: 0.179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.8726 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No