Information card for entry 7151661

Structure parameters

• Formula: C99 H102 N16 O25
• Calculated formula: C99 H102 N16 O25
• Title of publication: Conformational polymorphism and amphiphilic properties of resorcinarene octapodands.
• Authors of publication: Helttunen, Kaisa; Nauha, Elisa; Kurronen, Anni; Shahgaldian, Patrick; Nissinen, Maija
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 3
• Pages of publication: 906 - 914
• a: 11.8003 ± 0.0004 Å
• b: 20.6248 ± 0.0007 Å
• c: 21.2868 ± 0.0008 Å
• α: 110.363 ± 0.002°
• β: 97.492 ± 0.002°
• γ: 99.82 ± 0.002°
• Cell volume: 4683.8 ± 0.3 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: 0.1424
• Residual factor for significantly intense reflections: 0.0829
• Weighted residual factors for significantly intense reflections: 0.2032
• Weighted residual factors for all reflections included in the refinement: 0.2343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.37
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No