Information card for entry 7214821

Structure parameters

• Formula: C36 H32 N6 O5
• Calculated formula: C36 H32 N6 O5
• 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: 14.0456 ± 0.0007 Å
• b: 19.2718 ± 0.0008 Å
• c: 11.4694 ± 0.0005 Å
• α: 90°
• β: 94.781 ± 0.002°
• γ: 90°
• Cell volume: 3093.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0985
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No