Information card for entry 7214817

Structure parameters

• Formula: C34 H26 N4 O4
• Calculated formula: C34 H26 N4 O4
• SMILES: O=C(Nc1ccccc1NC(=O)c1cccc(c1)C(=O)Nc1ccccc1NC(=O)c1ccccc1)c1ccccc1
• Title of publication: Structural analysis of two foldamer-type oligoamides ‒ the effect of hydrogen bonding on solvate formation, crystal structures and molecular conformation
• Authors of publication: Suhonen, Aku; Nauha, Elisa; Salorinne, Kirsi; Helttunen, Kaisa; Nissinen, Maija
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 21
• Pages of publication: 7398
• a: 39.688 ± 0.008 Å
• b: 8.3626 ± 0.0017 Å
• c: 16.671 ± 0.003 Å
• α: 90°
• β: 97.19 ± 0.03°
• γ: 90°
• Cell volume: 5489.5 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0987
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No