Information card for entry 7224326

Structure parameters

• Formula: C30 H29 N5 O4
• Calculated formula: C30 H29 N5 O4
• Title of publication: Conformational properties and folding analysis of a series of seven oligoamide foldamers
• Authors of publication: Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 11
• Pages of publication: 2005
• a: 8.189 ± 0.0002 Å
• b: 12.1939 ± 0.0003 Å
• c: 14.5599 ± 0.0003 Å
• α: 68.849 ± 0.002°
• β: 80.18 ± 0.003°
• γ: 86.555 ± 0.003°
• Cell volume: 1336.08 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No