Information card for entry 7113805

Structure parameters

• Formula: C109 H106 N34 O23 S2
• Calculated formula: C108.5 H78.5 N33.5 O23 S2
• 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: 31.7503 ± 0.0006 Å
• b: 17.8396 ± 0.0004 Å
• c: 23.1278 ± 0.0005 Å
• α: 90°
• β: 115.354 ± 0.005°
• γ: 90°
• Cell volume: 11838.1 ± 0.7 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• 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: 0.253
• Residual factor for significantly intense reflections: 0.161
• Weighted residual factors for all reflections: 0.376
• Weighted residual factors for all reflections included in the refinement: 0.192
• Goodness-of-fit parameter for all reflections: 1.644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No