Information card for entry 7113806

Structure parameters

• Formula: C47 H42 F12 N16 O20 S4
• Calculated formula: C47 H27 F12 N16 O20 S4
• Title of publication: Contraction/extension molecular motion by protonation/deprotonation induced structural switching of pyridine derived oligoamides
• Authors of publication: Kolomiets, Elena; Berl, Volker; Odriozola, Ibon; Stadler, Adrian-Mihail; Kyritsakas, Nathalie; Lehn, Jean-Marie
• Journal of publication: Chemical Communications
• Year of publication: 2003
• Journal issue: 23
• Pages of publication: 2868
• a: 13.0862 ± 0.0002 Å
• b: 14.0503 ± 0.0002 Å
• c: 17.3915 ± 0.0004 Å
• α: 81.144 ± 0.005°
• β: 86.481 ± 0.005°
• γ: 68.789 ± 0.005°
• Cell volume: 2945.46 ± 0.14 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for all reflections: 0.18
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections: 1.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No